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Profile: Focus Biomolecules was founded by former members of globally recognized BIOMOL. From our industry experience we set out to refine the practices of small molecule based life sciences companies and eliminate the challenges too often found by customers. With more than 24 years in the industry, we offer advanced, high quality reagents and a fresh, customer oriented experience. In addition to our ever expanding portfolio of cutting edge life science reagents, we have unique targeted chemical libraries and expert custom synthetic services. Based in suburban Philadelphia our modern laboratory enables full analytical and synthetic chemical capabilities with distributors found worldwide.

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• RHC 80267
IUPAC Name: (cyclohexylideneamino) N-[6-[(cyclohexylideneamino)oxycarbonylamino]hexyl]carbamate | CAS Registry Number: 83654-05-1
Synonyms: Quinolyl derivatives, CBiol_002009, Rhc 80267, BSPBio_001074, KBioGR_000414, KBioSS_000414, Rg 80267, RHC-80267, BCBcMAP01_000181, KBio2_000414, KBio2_002982, KBio2_005550, KBio3_000787, KBio3_000788, CID5063, 1,6-Bis(cyclohexyloximinocarbonyl)hexane, CHEBI:364919, MolPort-003-983-840, Bio1_000295, Bio1_000784

Molecular Formula: C20H34N4O4Molecular Weight: 394.508360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: RXSVYGIGWRDVQC-UHFFFAOYSA-N

• Rimonabant
IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide | CAS Registry Number: 168273-06-1
Synonyms: Acomplia, Rimoslim, Zimulti, Acomplia (TN), nchembio.129-comp21, Rimonabant (USAN/INN), Rimonabant [USAN:INN], UNII-RML78EN3XE, Bio-0091, CHEBI:116088, AIDS342676, AIDS-342676, SR 141716, CID104850, SR141716A, ZINC01540228, [3H]SR141716A, SR-141716A, A 281, NCGC00164572-01

Molecular Formula: C22H21Cl3N4OMolecular Weight: 463.787340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

• RK-682
IUPAC Name: (2R)-4-hexadecanoyl-3-hydroxy-2-(hydroxymethyl)-2H-furan-5-one | CAS Registry Number: 150627-37-5
Synonyms: SureCN4403663, CHEMBL108441, CHEBI:280166, CHEBI:481042, DNC006315, (R)-3-Hexadecanoyl-5-hydroxymethyltetronic acid, (5R)-3-Hexadecanoyl-5-hydroxymethyltetronic acid, (R)-4-Hydroxy-5-(hydroxymethyl)-3-(1-oxohexadecyl)-2(5H)-furanone

Molecular Formula: C21H36O5Molecular Weight: 368.507540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: KZTSLHQKWLYYAC-GOSISDBHSA-N

• Ro 20-1724
IUPAC Name: 4-[(3-butoxy-4-methoxyphenyl)methyl]imidazolidin-2-one | CAS Registry Number: 29925-17-5
Synonyms: Spectrum_001840, Spectrum3_001826, Lopac0_000204, BSPBio_001358, BSPBio_002560, BSPBio_003471, KBioGR_000078, KBioSS_000078, KBioSS_002345, MLS000859915, B8279_SIGMA, SPECTRUM2300287, RO 20-1724, BCBcMAP01_000185, KBio2_000078, KBio2_002342, KBio2_002646, KBio2_004910, KBio2_005214, KBio2_007478

Molecular Formula: C15H22N2O3Molecular Weight: 278.346780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PDMUULPVBYQBBK-UHFFFAOYSA-N

• Ro 41-5253
IUPAC Name: 4-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid | CAS Registry Number: 144092-31-9
Synonyms: R0-415253, 4-[(E)-2-(7-heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid, LG-629, LG629, Ro-41-5253, AC1NSM1L, SureCN4183654, Ro415253, (E)-6-[1-(4-Carboxyphenyl)propen-2-yl]-3,4-dihydro -4,4-dimethyl-7-heptyloxy-2H-benzothiophene-2,2-dioxide, Benzoic acid, 4-(2-(7-(heptyloxy)-3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)-1-propenyl)-, S,S-dioxide, (E)-

Molecular Formula: C28H36O5SMolecular Weight: 484.647440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: JEIWQRITHXYGIF-LVZFUZTISA-N

• Rofecoxib
IUPAC Name: 3-(4-methylsulfonylphenyl)-4-phenyl-2H-furan-5-one | CAS Registry Number: 162011-90-7
Synonyms: rofecoxib, Vioxx, Ceoxx, refecoxib, Vioxx Dolor, Vioxx (trademark), Vioxx (TN), MSD brand of rofecoxib, Spectrum_000119, SpecPlus_000669, Merck brand of rofecoxib, Spectrum2_000446, Spectrum3_001153, Spectrum4_000631, Spectrum5_001598, CCRIS 8967, MK 966, BSPBio_002705, KBioGR_001242, KBioGR_002345

Molecular Formula: C17H14O4SMolecular Weight: 314.355660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: RZJQGNCSTQAWON-UHFFFAOYSA-N

• Rolipram
IUPAC Name: 4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one | CAS Registry Number: 61413-54-5
Synonyms: rolipram, Adeo, Rolipramum [Latin], (R)-ROLIPRAM, (R)-(-)-Rolipram, Rolipram [USAN:INN], (+/-)-Rolipram, nchembio.79-comp31, (S)-ROLIPRAM, Prestwick0_000924, Prestwick1_000924, Prestwick2_000924, Prestwick3_000924, UPCMLD-DP110, Lopac0_001072, BSPBio_000828, BSPBio_001356, KBioGR_000076, KBioSS_000076, Rolipram (JAN/USAN/INN)

Molecular Formula: C16H21NO3Molecular Weight: 275.342840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: HJORMJIFDVBMOB-UHFFFAOYSA-N

• Romidepsin
IUPAC Name: (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-di(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetrazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone | CAS Registry Number: 128517-07-7
Synonyms: Chromadax, Depsipeptide, Istodax, Chromadax (TN), Romidepsin (USAN), nchembio.313-comp2, Antibiotic FR 901228, HDInhib_000006, Probes1_000153, Probes2_000337, FK228, C24H36N4O6S2, CHEBI:346935, FK 228, FK-228, NSC 630176, FR 901228, NSC630176, CID5352062, FR-901228

Molecular Formula: C24H36N4O6S2Molecular Weight: 540.695840 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: OHRURASPPZQGQM-GCCNXGTGSA-N

• Rosiglitazone maleate
IUPAC Name: (Z)-but-2-enedioic acid; 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione | CAS Registry Number: 155141-29-0
Synonyms: Avandia, rosiglitazone, Avandaryl, Nyracta, Venvia, Mixture Name, Avandia (TN), Rosiglitazone Maleate [USAN], MLS001306472, MLS001401426, BRL 49653C, BRL 49653-C, BRL-49653C, Rosiglitazone maleate (JAN/USAN), C18H19N3O3S.C4H4O4, NSC717764, Avandia administration for 6-12 weeks, CID5281055, CPD000471612, SAM001246610

Molecular Formula: C22H23N3O7SMolecular Weight: 473.498920 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 9

InChIKey: SUFUKZSWUHZXAV-BTJKTKAUSA-N

• Rosmarinic acid
IUPAC Name: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid | CAS Registry Number: 20283-92-5
Synonyms: rosmarinic acid, Rosmarinate, Rosmarimic acid, Rosemary acid, (R)-rosmarinic acid, Ambap7578, MLS000697677, 536954_ALDRICH, MEGxp0_000163, ACon1_001068, CHEBI:50371, AIDS026336, AIDS-026336, C18H16O8, 537-15-5 (ROSMARINATE), CID5281792, NCGC00169708-01, SMR000445579, 20283-92-5 (FREE ACID), LS-175479

Molecular Formula: C18H16O8Molecular Weight: 360.314840 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: DOUMFZQKYFQNTF-WUTVXBCWSA-N

• Ruxolitinib
IUPAC Name: (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propanenitrile | CAS Registry Number: 941678-49-5
Synonyms: INCB-018424, INCB018424, UNII-82S8X8XX8H, CHEBI:66919, Ruxolitinib, 941678-49-5, INCB 018424, (R)-3-(4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)-3-cyclopentylpropanenitrile, ?-Cyclopentyl-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-(?R)-1H-pyrazole-1-propanenitrile, Ruxolitinib [INN], S1378_Selleck, Ruxolitinib (USAN/INN), Ruxolitinib [USAN:INN], INCB18424,Ruxolitinib, SureCN171319, INCB424, cc-189, 82S8X8XX8H, INCB018424 (Ruxolitinib), INCB018424 - Ruxolitinib, Ruxolitinib (INCB018424)

Molecular Formula: C17H18N6Molecular Weight: 306.365020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HFNKQEVNSGCOJV-OAHLLOKOSA-N

• S-trityl-L-Cysteine
IUPAC Name: 2-amino-3-[tri(phenyl)methylsulfanyl]propanoic acid | CAS Registry Number: 2799-07-7
Synonyms: Tritylcysteine, Tritylthioalanine, S-Tritylcysteine, S-Trityl-L-cysteine, 3-Tritylthio-L-alanine, S-Triphenylmethyl-L-cysteine, L-Alanine, 3-(tritylthio)-, Alanine, 3-(tritylthio)-, L-, Neuro_000036, NCIOpen2_009275, L-Cysteine, S-(triphenylmethyl)-, NSC83265, Alanine, 3-(tritylthio)-, D-, AIDS125757, D-Cysteine, S-(triphenylmethyl)-, AIDS-125757, DL-Cysteine, S-(triphenylmethyl)-, NSC 83265, NSC124663, NSC124676

Molecular Formula: C22H21NO2SMolecular Weight: 363.472640 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DLMYFMLKORXJPO-UHFFFAOYSA-N

• Safracin B
Synonyms: Antibiotic EM 5519, Antibiotic Y 16482alpha, Antibiotic Y 16482-alpha, EM 5519, CID160294, LS-119017, Propanamide, 2-amino-N-((6,7,9,10,13,14,14a,15-octahydro-1,7-dihydroxy-2,11-dimethoxy-3,12,16-trimethyl-10,13-dioxo-6,15-imino-5H-isoquino(3,2-b)(3)benzazocin-9-yl)methyl)-, 82029-27-4

Molecular Formula: C28H36N4O7Molecular Weight: 540.608040 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: GKUZBRIJGIGFKC-XPXFATIHSA-N

• SAG
IUPAC Name: 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide | CAS Registry Number: 912545-86-9
Synonyms: CHEMBL1221983, CHEMBL2160033, AC1NR49D, SureCN8437026, SureCN10029769, SureCN14707297, NCGC00347954-01, 3-chloro-N-[4-(methylamino)cyclohexyl]-N-[(3-pyridin-4-ylphenyl)methyl]-1-benzothiophene-2-carboxamide, 3-Chloro-N-[trans-4-(methylamino)cyclohexyl]-N-[[3-(4-pyridinyl)phenyl]methyl]- benzo[b]thiophene-2-carboxamide, N-(3-(Pyridin-4yl)benzyl)-3-chloro-N-(4-(trans-methylamino)cyclohexyl)benzo[b] thiophene-2-carboxamide

Molecular Formula: C28H28ClN3OSMolecular Weight: 490.059420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VFSUUTYAEQOIMW-UHFFFAOYSA-N

• Salermide
IUPAC Name: N-[3-[(2-oxonaphthalen-1-ylidene)methylamino]phenyl]-2-phenylpropanamide | CAS Registry Number: 1105698-15-4
Synonyms: SureCN8103931, CTK8E9782

Molecular Formula: C26H22N2O2Molecular Weight: 394.465080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: UADRPWLRVLBVBC-UHFFFAOYSA-N

• Salinomycin sodium salt
IUPAC Name: sodium 2-[6-[6-[3-(5-ethyl-5-hydroxy-6-methyloxan-2-yl)-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.5^{7}.3^{5}]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-5-methyloxan-2-yl]butanoate | CAS Registry Number: 55721-31-8
Synonyms: salinomycin, Coxistal

Molecular Formula: C42H69NaO11Molecular Weight: 772.980430 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 11

InChIKey: YPZYGIQXBGHDBH-UHFFFAOYSA-M

• Salirasib
IUPAC Name: 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid | CAS Registry Number: 162520-00-5
Synonyms: Farnesylthiosalicylic acid, Salirasib [USAN], Salirasib (INN/USAN), Lopac-F-8175, UNII-MZH0OM550M, S-Farnesylthiosalicylic acid, Lopac0_000517, CHEBI:130247, MolPort-003-847-356, NSC685986, CID5469318, NCGC00015448-01, NCGC00015448-02, NCGC00093912-01, NCGC00093912-02, LS-186975, LS-187617, EU-0100517, D08995, F 8175

Molecular Formula: C22H30O2SMolecular Weight: 358.537400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WUILNKCFCLNXOK-CFBAGHHKSA-N

• Salubrinal
IUPAC Name: (E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide | CAS Registry Number: 405060-95-9
Synonyms: salubrinal, eIF-2alpha Inhibitor, Salubrinal, F0095-1218, BAS 00247559, AC1NX1CD, CHEMBL180127, Salubrinal|405060-95-9, MolPort-001-801-596, STL253110, AKOS000525027, CS-1012, NCGC00159554-01, HY-15486, ST078198, KB-145976, BRD-A77299732-001-01-6, N-(2,2,2-trichloro-1-(3-(quinolin-8-yl)thioureido)ethyl)cinnamamide, (E)-3-phenyl-N-[2,2,2-trichloro-1-(quinolin-8-ylcarbamothioylamino)ethyl]prop-2-enamide, 3-Phenyl-N-[2,2,2-trichloro-1-(3-quinolin-8-yl-thioureido)-ethyl]-acrylamide, (2E)-3-phenyl-N-(2,2,2-trichloro-1-{[(8-quinolylamino)thioxomethyl]amino}ethyl )prop-2-enamide

Molecular Formula: C21H17Cl3N4OSMolecular Weight: 479.809880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: LCOIAYJMPKXARU-VAWYXSNFSA-N

• SB 202190
IUPAC Name: 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one | CAS Registry Number: 152121-30-7
Synonyms: FHPI, nchembio873-comp13, Tocris-1264, BiomolKI_000051, Lopac-S-7067, BiomolKI2_000057, Lopac0_000173, BSPBio_001106, KBioGR_000446, KBioSS_000446, MLS002153419, SB 202190, Immobilized, S7067_SIGMA, SB-202190, KBio2_000446, KBio2_003014, KBio2_005582, KBio3_000831, KBio3_000832, BIS4321

Molecular Formula: C20H14FN3OMolecular Weight: 331.343063 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: NJNKPVPFGLGHPA-UHFFFAOYSA-N

• SB 216763
IUPAC Name: 3-(2,4-dichlorophenyl)-4-(1-methylindol-3-yl)pyrrole-2,5-dione | CAS Registry Number: 280744-09-4
Synonyms: Tocris-1616, Lopac-S-3442, Lopac0_000934, MLS001074894, S3442_SIGMA, SB-216763, CID176158, ZINC01493890, NCGC00015949-01, NCGC00025232-01, NCGC00025232-02, NCGC00025232-03, SMR000568414, LS-186079, EU-0100934, C417521, 3-(2,4-Dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-1H-pyrrole-2,5-dione, 1H-Pyrrole-2,5-dione, 3-(2,4-dichlorophenyl)-4-(1-methyl-1H-indol-3-yl)-

Molecular Formula: C19H12Cl2N2O2Molecular Weight: 371.216780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JCSGFHVFHSKIJH-UHFFFAOYSA-N

• SB 525334
IUPAC Name: 6-[2-tert-butyl-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl]quinoxaline | CAS Registry Number: 356559-20-1
Synonyms: SB-525334, AG-F-23697, 6-[2-(TERT-BUTYL)-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL]QUINOXALINE, 6-[2-TERT-BUTYL-5-(6-METHYL-PYRIDIN-2-YL)-1H-IMIDAZOL-4-YL]-QUINOXALINE, SB525334, SB 525334, 356559-20-1, 6-(2-(tert-Butyl)-5-(6-methylpyridin-2-yl)-1H-imidazol-4-yl)quinoxaline, SB525334, SB 525334, S1476_Selleck, SureCN373474, SureCN10000768, cc-539, CHEMBL401570, QCR-68, CTK4H5088, CHEBI:535646, HMS3262O09, ABP000161, ANW-71297, DNC010927, AKOS016008294

Molecular Formula: C21H21N5Molecular Weight: 343.424940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DKPQHFZUICCZHF-UHFFFAOYSA-N

• SB-366791
IUPAC Name: (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide | CAS Registry Number: 472981-92-3
Synonyms: S0441_SIGMA, CHEBI:299113, MolPort-001-491-057, STK202522, ZINC00009321, CID667594, N-(3-Methoxyphenyl)-4-chlorocinnamide, 3-(4-Chloro-phenyl)-N-(3-methoxy-phenyl)-acrylamide, BRD-K59331372-001-01-2, (E)-3-(4-Chloro-phenyl)-N-(3-methoxy-phenyl)-acrylamide, (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide

Molecular Formula: C16H14ClNO2Molecular Weight: 287.740860 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RYAMDQKWNKKFHD-JXMROGBWSA-N

• SB-431542
IUPAC Name: 4-[4-(1,3-benzodioxol-5-yl)-5-pyridin-2-yl-1H-imidazol-2-yl]benzamide | CAS Registry Number: 301836-41-9
Synonyms: SB 431542, SB431542, 4-(4-(benzo[d][1,3]dioxol-5-yl)-5-(pyridin-2-yl)-1H-imidazol-2-yl)benzamide, SB-431542-A, Bio2_000852, S1067_Selleck, Kinome_3428, PubChem22438, SureCN155156, SureCN310028, AC1ND2U2, BSPBio_001064, KBioGR_000404, KBioSS_000404, CHEMBL440084, QCR-42, BCBcMAP01_000166, CTK8B8498, KBio2_000404, KBio2_002972

Molecular Formula: C22H16N4O3Molecular Weight: 384.387440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHYUGAJXYORMHI-UHFFFAOYSA-N

• SC 51089
IUPAC Name: 3-chloro-N'-(3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide;hydrochloride | CAS Registry Number: 146033-02-5
Synonyms: SC-51089, AC1L31IC, SureCN5944364, CHEMBL544573, CTK8F0120, 3-chloro-N'-(3-pyridin-4-ylpropanoyl)-6H-benzo[b][1,4]benzoxazepine-5-carbohydrazide hydrochloride, 8-Chloro-dibenz[b,f][1,4]oxazepine-10(11H)-carboxylic Acid 2-[1-Oxo-3-(4-pyridinyl)propyl]hydrazide Hydrochloride, 8-CHLORODIBENZ[B,F][1,4]OXAZEPINE-10(11H)-CARBOXYLIC ACID 2-[1-OXO-3-(4-PYRIDINYL)PROPYL]HYDRAZIDE HYDROCHLORIDE, Dibenz(b,f)(1,4)oxazepine-10(11H)-carboxylic acid, 8-chloro-, 2-(1-oxo-3-(4-pyridinyl)propyl)hydrazide, monohydrochloride

Molecular Formula: C22H20Cl2N4O3Molecular Weight: 459.325200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: ORMHJTXDPDGKIS-UHFFFAOYSA-N

• SC-514
IUPAC Name: 3-amino-5-thiophen-3-ylthiophene-2-carboxamide | CAS Registry Number: 354812-17-2
Synonyms: IKK-2 Inhibitor, SC-514, InSolution™ IKK-2 Inhibitor, SC-514, Sc 514, Curator_000007, BiomolKI_000076, BiomolKI2_000080, AC1MD9M6, SureCN4082097, Oprea1_591652, CHEMBL193093, CTK8E9458, MolPort-003-850-228, SC514, DNC005318, ZINC00081904, CCG-100680, CS-1388, GK01140, NCGC00163392-01, GK-01140

Molecular Formula: C9H8N2OS2Molecular Weight: 224.302620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: BMUACLADCKCNKZ-UHFFFAOYSA-N

• SC79
IUPAC Name: ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate | CAS Registry Number: 305834-79-1
Synonyms: ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate, AC1MDGEE, AOB4998, MolPort-001-841-536, HMS1663O19, SC 79, AKOS024458266, MCULE-7018906021, HY-18749, 2-Amino-6-chloro-?-cyano-3-(ethoxycarbonyl)-4H-1-benzopyran-4-acetic acid ethyl ester, alpha-Cyano-2-amino-3-(ethoxycarbonyl)-6-chloro-4H-1-benzopyran-4-acetic acid ethyl ester

Molecular Formula: C17H17ClN2O5Molecular Weight: 364.780280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: DXVKFBGVVRSOLI-UHFFFAOYSA-N

• SCH-202676 HBr
IUPAC Name: N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide | CAS Registry Number: 70375-43-8
Synonyms: SCH-202676 hydrobromide, SCH-202676, N-(2,3-Diphenyl-1,2,4-thiadiazol-5-(2H)-ylidene)methanamine, HBr, N-(2,3-diphenyl-1,2,4-thiadiazol-5-(2H)-ylidene)methanamine hydrobromide, N-(2,3-DIPHENYL-1,2,4-THIADIAZOL-5(2H)-YLIDENE)METHANAMINE HYDROBROMIDE, AGN-PC-00IQVQ, MLS002153327, CHEBI:648945, MolPort-003-177-839, AG-G-74777, CCG-222382, LP01078, NCGC00094356-01, NCGC00094356-02, SMR001230740, EU-0101078, S 4063, N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide

Molecular Formula: C15H14BrN3SMolecular Weight: 348.260760 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YJYGOWVFDGULLL-UHFFFAOYSA-N

• Seliciclib
IUPAC Name: (2R)-2-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol | CAS Registry Number: 186692-46-6
Synonyms: roscovitine, R-Roscovitine, (R)-roscovitine, Rosco, 2a4l, BiomolKI_000048, BiomolKI2_000054, CBiol_002016, Lopac0_001102, BSPBio_001078, KBioGR_000418, KBioSS_000418, InSolution™ Roscovitine, R7772_SIGMA, CYC 202, CYC-202, CYC202, BCBcMAP01_000013, KBio2_000418, KBio2_002986

Molecular Formula: C19H26N6OMolecular Weight: 354.449340 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 7

InChIKey: BTIHMVBBUGXLCJ-OAHLLOKOSA-N

• Sepantronium bromide
IUPAC Name: 1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione;bromide | CAS Registry Number: 781661-94-7
Synonyms: YM-155, 4,9-Dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-1H-naphth[2,3-d]imidazolium bromide, UNII-7H5Q4J1CM5, CHEMBL2105734, MolPort-021-805-026, Sepantronium bromide (JAN/USAN), Sepantronium bromide [USAN:INN], BCPP000007, ABP000261, CS-0336, RL05028, HY-10194, KB-26636, FT-0660380, X7538, A25644, D10164, YM-155|781661-94-7|Sepantronium bromide|YM 155, 1H-Naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(pyrazinylmethyl)-, bromide, 1H-Naphth[2,3-d]imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-, bromide

Molecular Formula: C20H19BrN4O3Molecular Weight: 443.293860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: QBIYUDDJPRGKNJ-UHFFFAOYSA-M

• SGC707
IUPAC Name: 1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea | CAS Registry Number: 1687736-54-4
Synonyms: GTPL8552, AOB5757, SGC 707, AKOS025142099, ZINC220951188, CS-5370, HY-19715, 1-isoquinolin-6-yl-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea, 1-Isoquinolin-6-Yl-3-[2-Oxo-2-(Pyrrolidin-1-Yl)ethyl]urea, 1-(Isoquinolin-6-yl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl] urea, S7832,1687736-54-4, 3ZG

Molecular Formula: C16H18N4O2Molecular Weight: 298.339720 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DMIDPTCQPIJYFE-UHFFFAOYSA-N

• Shz 1
IUPAC Name: N'-[(Z)-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]benzenesulfonohydrazide | CAS Registry Number: 326886-05-9
Synonyms: 2-[(5-Bromo-2-hydroxyphenyl)methylene]hydrazide benzenesulfonic acid

Molecular Formula: C13H11BrN2O3SMolecular Weight: 355.207040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: YFHOVIHRHCFCIR-KTKRTIGZSA-N

• Simvastatin
IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate | CAS Registry Number: 79902-63-9
Synonyms: simvastatin, Zocor, Synvinolin, Sinvacor, Sivastin, Colemin, Medipo, Pantok, Denan, Lipex, Labistatin, Cholestat, Nivelipol, Rendapid, Vasotenal, Coledis, Corolin, Lodales, Simovil, Vytorin

Molecular Formula: C25H38O5Molecular Weight: 418.566220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: RYMZZMVNJRMUDD-HGQWONQESA-N

• Sinefungin
IUPAC Name: (2S,5S)-2,5-diamino-6-[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]hexanoic acid | CAS Registry Number: 58944-73-3
Synonyms: sinefungin, Sinefungina, Sinefungine, Sinefunginum, Adenosylornithine, 1aqj, 1qaq, Compound 57926, Antibiotic A 9145, Antibiotic 32232 RP, 2h2j, Sinefungine [INN-French], Sinefunginum [INN-Latin], Sinefungina [INN-Spanish], ADENOSYL-ORNITHINE, Sinefungin (USAN/INN), Sinefungin [USAN:INN], UNII-W2U467CIIL, C15H23N7O5, CID65482

Molecular Formula: C15H23N7O5Molecular Weight: 381.387020 [g/mol]
H-Bond Donor: 6H-Bond Acceptor: 11

InChIKey: LMXOHSDXUQEUSF-YECHIGJVSA-N

• SIRT1 Activator 3
IUPAC Name: N-cyclopentyl-2-diazenyl-1-(3-methoxypropyl)pyrrolo[3,2-b]quinoxaline-3-carboxamide | CAS Registry Number: 839699-72-8
Synonyms: CTK8E9029, MolPort-009-019-254, ZINC27646605

Molecular Formula: C20H24N6O2Molecular Weight: 380.443560 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FCSPEKABVJVYEG-UHFFFAOYSA-N

• Sirtinol
IUPAC Name: 2-[(2-oxonaphthalen-1-ylidene)methylamino]-N-[(1R)-1-phenylethyl]benzamide | CAS Registry Number: 410536-97-9
Synonyms: ZINC01226846, CID6982970

Molecular Formula: C26H22N2O2Molecular Weight: 394.465080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: YUGODMKHHCZZOI-GOSISDBHSA-N

• Sivelestat
IUPAC Name: 2-[[2-[[4-(2,2-dimethylpropanoyloxy)phenyl]sulfonylamino]benzoyl]amino]acetic acid | CAS Registry Number: 127373-66-4
Synonyms: Sivelestat [USAN], Elastase Inhibitor IV, Ono-5046, Sivelestat (USAN/INN), Ono 5046, UNII-DWI62G0P59, ONO5046, ONO-5046.Na, C20H22N2O7S, CHEBI:222423, EI 546, CID107706, IN1349, LY 544349, LS-172679, D03788, o-(p-Hydroxybenzenesulfonamido)hippuric acid, pivalate (ester), N-(2-(4-(2,2-Dimethylpropionyloxy)phenylsulfonylamino)benzoyl)aminoacetic acid, N-(o-(p-Pivaloyloxybenzene)sulfonylaminobenzoyl)glycine, Glycine, N-(2-(((4-(2,2-dimethyl-1-oxopropoxy)phenyl)sulfonyl)amino)benzoyl)-

Molecular Formula: C20H22N2O7SMolecular Weight: 434.462880 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 8

InChIKey: BTGNGJJLZOIYID-UHFFFAOYSA-N

• SKF-96365 hydrochloride
IUPAC Name: 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole hydrochloride | CAS Registry Number: 130495-35-1
Synonyms: Skf 96365, SKF-96365, Hydrochloride, S7809_SIGMA, CID104955, IN1088, SKF-96365, SK&F 96365, SK & F 96365, LS-183351, 1-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hydrochloride, 1-[ beta-[3-(4-Methoxyphenyl)propoxy]- 4-methoxyphenethyl]-1H-imidazole, 1-[2-(4-Methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole, 1H-Imidazole, 1-(2-(4-methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-, monohydrochloride, 1-[beta-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenethyl]-1H-imidazole hydrochloride, 1-[beta-[3-(4-Methoxyphenyl)propoxy]-4-methoxyphenethyl]-1H-imidazole, HCl

Molecular Formula: C22H27ClN2O3Molecular Weight: 402.914380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FWLPKVQUECFKSW-UHFFFAOYSA-N

• SL-01
IUPAC Name: benzyl N-[(2S)-4-chloro-3-oxo-1-phenylbutan-2-yl]carbamate | CAS Registry Number: 26049-94-5
Synonyms: ZPCK, Z-L-Phe chloromethyl ketone, Spectrum2_001493, Spectrum3_001809, Lopac-C-9511, Lopac0_000290, BSPBio_003397, MLS002153274, SPBio_001505, 860794_ALDRICH, KBio3_002900, CHEBI:196054, CID99625, EINECS 247-432-8, ZINC01583409, NSC 251810, NCGC00015284-01, NCGC00093742-01, NCGC00093742-02, NCGC00093742-03

Molecular Formula: C18H18ClNO3Molecular Weight: 331.793420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OYHLRJGDELITAF-INIZCTEOSA-N

• SMER28
IUPAC Name: 6-bromo-N-prop-2-enylquinazolin-4-amine | CAS Registry Number: 307538-42-7
Synonyms: 6-bromo-N-(prop-2-en-1-yl)quinazolin-4-amine, ST50182394, 3srb, SMR000106755, AC1LTGZ0, CBMicro_021891, Oprea1_603374, MLS000110826, CHEMBL494325, CTK8E6903, CHEBI:577914, MolPort-000-660-290, HMS2384I08, HMS3263K19, N-Allyl-6-bromoquinazolin-4-amine, CCG-14477, STK975188, ZINC01766166, AKOS002262854, LP01019

Molecular Formula: C11H10BrN3Molecular Weight: 264.121200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BCPOLXUSCUFDGE-UHFFFAOYSA-N

• SMER3
Synonyms: indeno[2,3-b]1,2,5-oxadiazolo[3,4-e]pyrazin-5-one, BAS 01964143, AC1LC37B, SureCN7984580, Oprea1_175199, Oprea1_783821, STOCK1S-64064, MolPort-001-970-903, HMS1607O01, SBB000632, STK120842, ZINC00027763, AKOS000479457, MCULE-1070513713, KB-74322, ST000573, Indeno[1,2-b]furazano[3,4-E]pyrazin-9-one, Indeno[1,2-b]furazano[3,4-E]pyrazin-9-one,, 2-Oxa-1,3,4,10-tetraaza-cyclopenta[b]fluoren-9-one, 9H-Indeno[1,2-e][1,2,5]oxadiazolo[3,4-b]pyrazin-9-one

Molecular Formula: C11H4N4O2Molecular Weight: 224.175060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: SFSSAKVWCKFRHE-UHFFFAOYSA-N

• SN-38
Synonyms: Camptothecin analog, 7-Ethyl-10-hydroxycamptothecin, SN38, SN 38, 7-Ethyl-10-hydroxy-camptothecin, Captothecin, 7-ethyl-10-hydroxy-, NSC673596, AIDS058635, AIDS-058635, 7-Ethyl-10-hydroxy-20(S)-CPT, 7-ethyl-10-hydroxy-20(s)-campthothecin, 7-Ethyl-10-hydroxy-20(S)-camptothecin, NCI60_026056, SL-00817, LS-127394, TL8005626, C11173, (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H,12H)-dione, 4,7-diethyl-4,10-dihydroxy-, (4S)-4,11-diethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione

Molecular Formula: C22H20N2O5Molecular Weight: 392.404600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: FJHBVJOVLFPMQE-QFIPXVFZSA-N

• Sodium 4-phenylbutyrate
IUPAC Name: sodium 4-phenylbutanoate | CAS Registry Number: 1716-12-7
Synonyms: Buphenyl, TriButyrate, Ammonaps, Ammonapse, NaPb, Buphenyl (TN), SODIUM PHENYLBUTYRATE, PBNA, 4-Phenylbutyrate, Na, 4PBA, Sodium phenylbutyrate [USAN], Sodium phenylbutyrate (USAN), Benzenebutanoic acid, sodium salt, Phenylbutyric acid sodium salt, C10H12O2.Na, 4-Phenylbutyric Acid Sodium Salt, Sodium 4-Phenylbutyrate (Buphenyl), EL-532, IN1087, VP-101

Molecular Formula: C10H11NaO2Molecular Weight: 186.182910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VPZRWNZGLKXFOE-UHFFFAOYSA-M

• Sorafenib tosylate
IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide; 4-methylbenzenesulfonic acid | CAS Registry Number: 475207-59-1
Synonyms: Nexavar, Xarelto, Sorafenib tosilate, Nexavar(R), Nexavar (TN), Sorafenib tosilate (JAN), Sorafenib tosylate (USAN), Sorafenib tosylate [USAN], BAY 43-9006 tosylate, NSC724772, CID406563, BAY 43-9006, BAY 54-9085, LS-186598, D06272, 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-, mono(4-methylbenzenesulfonate), 4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy} -pyridine-2-carboxylic acid methylamide-4-methylbenzenesulfonate

Molecular Formula: C28H24ClF3N4O6SMolecular Weight: 637.026570 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 10

InChIKey: IVDHYUQIDRJSTI-UHFFFAOYSA-N

• SP600125
Synonyms: Pyrazolanthrone, Pyrazoleanthrone, 1,9-Pyrazoloanthrone, Anthrapyrazolone, 1pmv, JNK Inhibitor II, SAPK Inhibitor II, Tocris-1496, BiomolKI_000068, Lopac-S-5567, BiomolKI2_000072, Anthra[1,9-cd]pyrazol-6(2H)-one, CBiol_002049, Lopac0_000473, Anthra-1,9-pyrazol-6-none, BSPBio_001066, KBioGR_000406, KBioSS_000406, MLS002153267, Bio-0879

Molecular Formula: C14H8N2OMolecular Weight: 220.226120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ACPOUJIDANTYHO-UHFFFAOYSA-N

• Splitomicin
IUPAC Name: 2,3-dihydrobenzo[f]chromen-1-one | CAS Registry Number: 5690-03-9
Synonyms: 2,3-dihydro-1H-benzo[f]chromen-1-one, 4707-36-2, AN-943/13652017, AC1Q6DTP, SureCN86076, AC1L40BI, MolPort-000-875-091, HMS1662B01, 2,3-dihydrobenzo[f]chromen-1-one, 2,3-dihydro-benzo[f]chromen-1-one, AR-1D2515, NSC157021, ZINC00367422, AKOS002664385, MCULE-4595357464, NSC 157021, NSC-157021, KB-16867, 2,3-dihydro-1H-napthol[2,1-b]pyran-1-one, 1H-Naphtha(2,1-b)pyran-4-one, 2,3-dihydro-

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZWRLQFJGZTUXDD-UHFFFAOYSA-N

• SR 3576
IUPAC Name: 3-[4-[(3-methylphenyl)carbamoylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide | CAS Registry Number: 1164153-22-3
Synonyms: Aminopyrazole inhibitor, 3576, SR-3576, 3-(5-(3-m-Tolylureido)-1H-indazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide, 3-[4-[[[(3-Methylphenyl)amino]carbonyl]amino]-1H-pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)-benzamide

Molecular Formula: C27H27N5O5Molecular Weight: 501.533780 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: MTFAYLZZDJGFGV-UHFFFAOYSA-N

• SR1001
IUPAC Name: N-[5-[[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]sulfamoyl]-4-methyl-1,3-thiazol-2-yl]acetamide | CAS Registry Number: 1335106-03-0
Synonyms: CHEMBL3094388, SR 1001, SCHEMBL2489597, MolPort-027-641-398, IN2143, AKOS024458386, SR-03000001001, SR-03000001001-1, SR-03000001001-2, N-[4-Methyl-5-[[[4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]amino]sulfonyl]-2-thiazolylacetamide

Molecular Formula: C15H13F6N3O4S2Molecular Weight: 477.401839 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 13

InChIKey: OZBSSKGBKHOLGA-UHFFFAOYSA-N

• SR144528
IUPAC Name: 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl)pyrazole-3-carboxamide | CAS Registry Number: 192703-06-3
Synonyms: SR-144,528, SureCN1546003, SureCN8313006, AGN-PC-0097JA, CHEMBL381689, CHEBI:435533, DNC006041, SR-144528, L000573, 5-(4-chloro-3-methylphenyl)-1-[(4-methylphenyl)-ditritiomethyl]-N-[(1R,3S,4S)-2,2,4-trimethyl-3-bicyclo[2.2.1]heptanyl]pyrazole-3-carboxamide

Molecular Formula: C29H34ClN3OMolecular Weight: 476.052760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SUGVYNSRNKFXQM-UHFFFAOYSA-N

• SR8278
IUPAC Name: ethyl 2-(5-methylsulfanylthiophene-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate | CAS Registry Number: 1254944-66-5
Synonyms: KB-80725, 1,2,3,4-Tetrahydro-2-[[5-(methylthio)-2-thienyl]carbonyl]-3-isoquinolinecarboxylic acid ethyl ester, ethyl 2-{[5-(methylsulfanyl)thiophen-2-yl]carbonyl}-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Molecular Formula: C18H19NO3S2Molecular Weight: 361.478360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: UIEBLUZPSFAFOC-UHFFFAOYSA-N

• SR9009
IUPAC Name: ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate | CAS Registry Number: 1379686-30-2
Synonyms: CHEMBL1961796, ethyl 3-[[(4-chlorophenyl)methyl-[(5-nitrothiophen-2-yl)methyl]amino]methyl]pyrrolidine-1-carboxylate

Molecular Formula: C20H24ClN3O4SMolecular Weight: 437.940260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: MMJJNHOIVCGAAP-UHFFFAOYSA-N


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