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• 1-(1-Bromoethyl)-2-Fluorobenzene
IUPAC Name: 1-(1-bromoethyl)-2-fluorobenzene | CAS Registry Number: 405931-46-6
Synonyms: 1-(1-bromoethyl)-2-fluorobenzene, SureCN626283, AC1Q1LE8, CTK6A5760, MolPort-009-198-053, AKOS009308238, AG-B-77210, QC-3088, RP04399, AK-35072, FT-0647629, FT-0649530, Y9030, EN300-43768

Molecular Formula: C8H8BrFMolecular Weight: 203.051523 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VYBHHNJUTAAMCG-UHFFFAOYSA-N

• 3-METHYL-1H-PYRAZOLE-4-CARBALDEHYDE
IUPAC Name: 5-methyl-1H-pyrazole-4-carbaldehyde | CAS Registry Number: 112758-40-4
Synonyms: 3-methyl-1H-pyrazole-4-carbaldehyde, 3-Methyl-1H-pyrazole-4-carboxaldehyde, 5-methyl-1H-pyrazole-4-carbaldehyde, 3-Methylpyrazole-4-carboxaldehyde, SBB024513, AG-D-32165, 5-methylpyrazole-4-carbaldehyde, ZINC04243451, PubChem16065, ACMC-1BRBY, AC1MC1TG, AC1Q2Q5D, KSC496A3P, 4-Formyl-3-methyl-1H-pyrazole, CTK3J6037, MolPort-000-157-488, MolPort-000-930-286, ACT07985, 3-Methyl-1h-pyrazol-4-carbaldehyde, 3-methyl-2H-pyrazole-4-carbaldehyde

Molecular Formula: C5H6N2OMolecular Weight: 110.113940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NWDMGTFNIOCVDU-UHFFFAOYSA-N

• 5-bromo-1H-benzimidazole-2-carboxylic acid
IUPAC Name: 6-bromo-1H-benzimidazole-2-carboxylic acid | CAS Registry Number: 40197-20-4
Synonyms: MFCD06738769, EN000490

Molecular Formula: C8H5BrN2O2Molecular Weight: 241.041500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ULTDLMITPWHISY-UHFFFAOYSA-N

• (3-chloropyrazin-2-yl)methanamine dihydrochloride
IUPAC Name: (3-chloropyrazin-2-yl)methanamine;dihydrochloride | CAS Registry Number: 867165-53-5
Synonyms: C-(3-Chloropyrazin-2-yl)-methylamine bis-hydrochloride, CTK5F7128, MolPort-019-879-169, ANW-48996, QC-973, SBB070515, AKOS015844882, AG-I-03322, AK-64298, BR-64298, KB-87652, 3-Chloropyrazin-2-methanamine dihydrochloride, W8906, (3-CHLOROPYRAZIN-2-YL)METHANAMINE 2HCL, C-1794, 2-(Aminomethyl)-3-chloropyrazine dihydrochloride, 58903-EP2305682A1, 58903-EP2308879A1, (3-chloro-2-pyrazinyl)methanamine dihydrochloride, (3-Chloropyrazin-2-yl)methylamine dihydrochloride

Molecular Formula: C5H8Cl3N3Molecular Weight: 216.496120 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: RHKWGVWUXBFIIE-UHFFFAOYSA-N

• 3-(Bromomethyl)pyridazine
IUPAC Name: 3-(bromomethyl)pyridazine | CAS Registry Number: 60023-36-1
Synonyms: SureCN2343910, CTK5I9873, MolPort-004-747-918, ANW-48818, ZINC02548440, AKOS006292176, AG-A-53601, OR30652, QC-3769, RP02782, AK-41095, BR-41095, KB-69903, BB 0258113, X0198

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CEBUNOCBCPXDNP-UHFFFAOYSA-N

• 3,5-Dichloropyrazine-2-carbonitrile
IUPAC Name: 3,5-dichloropyrazine-2-carbonitrile | CAS Registry Number: 313339-92-3
Synonyms: 2-Pyrazinecarbonitrile, 3,5-dichloro-, ACMC-209ynm, CTK4G6866, MolPort-009-199-017, ANW-49184, WTI-11633, AKOS015848881, AG-L-22885, PB31130, QC-3810, RP23590, RP23593, AK-31179, BR-31179, KB-28628, 3,5-DICHLORO-2-PYRAZINECARBONITRILE, AM20120501, X0204

Molecular Formula: C5HCl2N3Molecular Weight: 173.987540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SDTCGHLDTSGIRR-UHFFFAOYSA-N

• 4-Chloro-1H-pyrazolo[4,3-c]pyridine
IUPAC Name: 4-chloro-1H-pyrazolo[4,3-c]pyridine | CAS Registry Number: 871836-51-0
Synonyms: PubChem18029, ACMC-209qih, CTK3C5411, MolPort-009-200-015, ANW-38631, QC-113, WTI-10087, AKOS015851192, AG-I-03325, MCULE-3938103135, PB13466, RP10081, AK-30992, AM807129, KB-37595, 1H-Pyrazolo[4,3-c]pyridine, 4-chloro-;, W8946, PYRAZOLO[4,3-C]PYRIDINE, 4-CHLORO-

Molecular Formula: C6H4ClN3Molecular Weight: 153.569060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FUXZQGSDRGDYGX-UHFFFAOYSA-N

• 1-(2-Bromoethyl)pyrrole
IUPAC Name: 1-(2-bromoethyl)pyrrole | CAS Registry Number: 78358-86-8
Synonyms: 1-(2-bromoethyl)pyrrole, 1-(2-Bromoethyl)-1H-pyrrole, AG-H-14496, SureCN83149, AGN-PC-00DFHS, AC1Q27YB, ACMC-1BH48, 1-(2-Bromoethyl)pyrrolidine;, MolPort-016-580-596, 1H-Pyrrole, 1-(2-bromoethyl)-, ANW-37177, AKOS006228749, MB00850, QC-3352, RP02848, AK-38426, KB-08238, B1622, FT-0690606, Y4087

Molecular Formula: C6H8BrNMolecular Weight: 174.038420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QBAVHEZVBGASER-UHFFFAOYSA-N

• 3-(2-Aminoethyl)-1-methylindole
IUPAC Name: 2-(1-methylindol-3-yl)ethanamine | CAS Registry Number: 7518-21-0
Synonyms: 2-(1-methyl-1H-indol-3-yl)ethanamine, N-Methylisotryptamine, 1-METHYLTRYPTAMINE, 2-(1-methylindol-3-yl)ethanamine, 1H-Indole-2-ethanamine, 1-methyl-, AG-G-99508, BRN 0473426, 2-(1-methyl-1H-indol-3-yl)ethylamine, AE-848/30742009, 7088-88-2, 1-methyl tryptamine, Tryptamine, 1-methyl-, AC1L2MGH, N1-METHYLTRYPTAMINE, SureCN332959, Oprea1_757922, CTK5E1242, 1-Methyl-1H-indole-3-ethylamine, MolPort-001-788-640, 2-(1-methylindol-3-yl)ethylamine

Molecular Formula: C11H14N2Molecular Weight: 174.242260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CAAGZPJPCKMFBD-UHFFFAOYSA-N

• 2-FORMYLFURAN-3-BORONIC ACID PINACOL ESTER
IUPAC Name: 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde | CAS Registry Number: 1055881-23-6
Synonyms: 2-Formylfuran-3-boronic acid pinacol ester, 3-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)FURAN-2-CARBALDEHYDE, AGN-PC-00YV1N, CTK8F0459, MolPort-000-141-163, OR2773, AB31980, KB-105065, C-1764, 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)furan-2-carbaldehyde

Molecular Formula: C11H15BO4Molecular Weight: 222.045400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: PYPDEWSBYDJVFU-UHFFFAOYSA-N

• 3-(4-BROMOPHENOXY)PROPANE-1,2-DIOL
IUPAC Name: 3-(4-bromophenoxy)propane-1,2-diol | CAS Registry Number: 63834-59-3
Synonyms: NSC635830, EINECS 264-503-9, 3-(p-Bromophenoxy)-1,2-propanediol, 3-(4-Bromophenoxy)propane-1,2-diol, AIDS135651, AIDS-135651, BRN 2260311, 1,2-Propanediol, 3-(p-bromophenoxy)-, CID113926, 3-(4-Bromophenoxy)-1,2-propanediol, NCI60_011924, LS-120195, 4-06-00-01049 (Beilstein Handbook Reference)

Molecular Formula: C9H11BrO3Molecular Weight: 247.085840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FZGZDDRZAZBANV-UHFFFAOYSA-N

• 3-CHLOROMETHYL-2-METHYLPYRIDINE.HCL?
IUPAC Name: 3-(chloromethyl)-2-methylpyridine;hydrochloride | CAS Registry Number: 58539-77-8
Synonyms: 3-(CHLOROMETHYL)-2-METHYLPYRIDINE HYDROCHLORIDE, SureCN3286515, CTK8B6222, ANW-53010, AKOS015999782, AB51469, QC-3803, AK-94087, AM806577, 3-CHLOROMETHYL-2-METHYLPYRIDINE HCL, KB-233514, 3-(CHLOROMETHYL)-2-METHYLPYRIDINE HCL

Molecular Formula: C7H9Cl2NMolecular Weight: 178.059060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IVKFTPSEDAPSSI-UHFFFAOYSA-N

• 4,6-PYRIMIDINEDIAMINE,N-METHYL-
IUPAC Name: 4-N-methylpyrimidine-4,6-diamine | CAS Registry Number: 66131-69-9
Synonyms: SureCN1911881, NCIOpen2_000085, AC1L985L, 4,6-pyrimidinediamine,n-methyl-, CTK8J9050, 4-N-methylpyrimidine-4,6-diamine, AKOS006337212, KB-188300

Molecular Formula: C5H8N4Molecular Weight: 124.143820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: OWHSQUDSJWIYDC-UHFFFAOYSA-N

• 4-(5-PHENYL-THIAZOL-2-YL)-PIPERIDINE
IUPAC Name: 5-phenyl-2-piperidin-4-yl-1,3-thiazole | CAS Registry Number: 885274-68-0
Synonyms: SureCN4677044, CTK5G0405, 4-(5-phenyl-thiazol-2-yl)piperidine, AB19430, AG-H-57219, Piperidine,4-(5-phenyl-2-thiazolyl)-, KB-238646, 5-PHENYL-2-(PIPERIDIN-4-YL)THIAZOLE

Molecular Formula: C14H16N2SMolecular Weight: 244.355240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RDKOIBCQMYSNMS-UHFFFAOYSA-N

• 5'-METHYL-2'-PIPERIDINE ACETIC ACID
IUPAC Name: 2-(4-methylpiperidin-2-yl)acetic acid | CAS Registry Number: 887587-46-4
Synonyms: 2-(4-methylpiperidin-2-yl)acetic acid, FCH857648, AKOS006284197

Molecular Formula: C8H15NO2Molecular Weight: 157.213 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: LZPKXCVKFSYYOV-UHFFFAOYSA-N

• 7-Bromo-2,3-dihydro-1H-indole
IUPAC Name: 7-bromo-2,3-dihydro-1H-indole | CAS Registry Number: 62813-85-8
Synonyms: 7-Bromoindoline, 7-bromo-2,3-dihydro-1H-indole, 1H-Indole, 7-bromo-2,3-dihydro-, AGN-PC-00DPPW, ACMC-209n8r, SureCN652655, CTK2B1810, MolPort-011-269-585, ANW-34393, ZINC26894101, AKOS009132745, QC-4354, AK-78931, BR-78931, KB-249628, W7478, C-2020, I10-862

Molecular Formula: C8H8BrNMolecular Weight: 198.059820 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: SCMZOGDYYXXXCP-UHFFFAOYSA-N

• 4-bromo-3-nitro-1H-pyrazole
IUPAC Name: 4-bromo-5-nitro-1H-pyrazole | CAS Registry Number: 89717-64-6
Synonyms: 4-Bromo-3-nitro-1H-pyrazole, 4-bromo-3-nitropyrazole, 1H-Pyrazole, 4-bromo-3-nitro-, ZINC01049759, AC1LCTCR, ACMC-20a6ek, SureCN319993, Pyrazole, 4-bromo-3-nitro-, 4-bromo-5-nitro-1H-pyrazole, AC1Q1Y90, 4-Bromo-3-nitro -1H-pyrazole, CTK2J1716, MolPort-000-161-312, ANW-59226, SBB000303, STK315897, AKOS000304499, MCULE-2849395124, PB10187, QC-4035

Molecular Formula: C3H2BrN3O2Molecular Weight: 191.970880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WEQNDTYVEHMMMX-UHFFFAOYSA-N

• 4-amino-1,3-dihydro-2H-Indol-2-one
IUPAC Name: 4-amino-1,3-dihydroindol-2-one | CAS Registry Number: 54523-76-1
Synonyms: 4-aminoindolin-2-one, SureCN836954, CTK1F8699, 4-Amino-1,3-dihydro-indol-2-one, AKOS006340988, 2H-Indol-2-one, 4-amino-1,3-dihydro-, FT-0690095, X4702, I10-0508

Molecular Formula: C8H8N2OMolecular Weight: 148.161920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZNINKECAYRRRRK-UHFFFAOYSA-N

• 1-METHYL-1H-PYRAZOLO[3,4-D]PYRIMIDINE-4,6-DIAMINE
IUPAC Name: 1-methylpyrazolo[3,4-d]pyrimidine-4,6-diamine | CAS Registry Number: 108272-88-4
Synonyms: 1-Methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine, SureCN130702, RP02362, Y6994

Molecular Formula: C6H8N6Molecular Weight: 164.167920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: YSPQGNGXICAQJJ-UHFFFAOYSA-N

• 1-(1-METHYL-1H-INDOL-5-YL)ETHANONE
IUPAC Name: 1-(1-methylindol-5-yl)ethanone | CAS Registry Number: 61640-20-8
Synonyms: 1-(1-Methyl-1H-indol-5-yl)ethanone, SureCN2610251, CTK2D5697, QC-3091, RP02810, Ethanone, 1-(1-methyl-1H-indol-5-yl)-, KB-212420, Y9626

Molecular Formula: C11H11NOMolecular Weight: 173.211140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XQQNYKROVSVLHR-UHFFFAOYSA-N

• 1-(4-BROMO-2-FLUOROPHENYL)-2,2,2-TRIFLUOROETHANONE
IUPAC Name: 1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone | CAS Registry Number: 617706-18-0
Synonyms: 1-(4-bromo-2-fluorophenyl)-2,2,2-trifluoroethanone, SureCN1230860, AKOS016014849, RP06490, AK131323, KB-08904, Y9630

Molecular Formula: C8H3BrF4OMolecular Weight: 271.006433 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: XMFAZNDFEXEANH-UHFFFAOYSA-N

• 2,3,4,6-Tetrafluoronitrobenzene
IUPAC Name: 1,2,3,5-tetrafluoro-4-nitrobenzene | CAS Registry Number: 314-41-0
Synonyms: 196770_ALDRICH, ZINC01847588, CID67566, EINECS 206-246-7, 1,2,3,5-Tetrafluoro-4-nitrobenzene, Benzene, 1,2,3,5-tetrafluoro-4-nitro-, T172

Molecular Formula: C6HF4NO2Molecular Weight: 195.071253 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: FDLCUAUNAWWSBX-UHFFFAOYSA-N

• 1-Methyl-5-nitro-1H-indazole
IUPAC Name: 1-methyl-5-nitroindazole | CAS Registry Number: 5228-49-9
Synonyms: Oprea1_660102, 5-nitro-1-methyl-1H-indazole, CID280211, NSC131656, ZINC00478190, ST5408295, AG-777/36181005, InChI=1/C8H7N3O2/c1-10-8-3-2-7(11(12)13)4-6(8)5-9-10/h2-5H,1H

Molecular Formula: C8H7N3O2Molecular Weight: 177.160080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: JHPMRMBDPINHAV-UHFFFAOYSA-N

• 5-bromo-1h-indazole-3-carboxylic Acid
IUPAC Name: 5-bromo-1H-indazole-3-carboxylic acid | CAS Registry Number: 1077-94-7
Synonyms: 5-bromo-1H-indazole-3-carboxylic Acid, 5-Bromoindazole-3-carboxylic acid, 5-Bromo-3-indazolecarboxylic acid, SBB067597, 5-Bromo-1H-indazole-3-carboxylicacid, PubChem7817, AC1OFX8T, ACMC-2098xf, SureCN260615, KSC173Q5B, 5-Bromo-3-carboxy-1H-indazole, CTK0H3850, MolPort-000-001-825, 5-Bromoindazole-3-carboxylic acid;, ANW-15841, BBL021582, RW1889, STK894295, AKOS005144151, AG-A-84457

Molecular Formula: C8H5BrN2O2Molecular Weight: 241.041500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AMJVXOOGGBPVCZ-UHFFFAOYSA-N

• (5-chloropyridin-2-yl)methanamine monohydrochloride
IUPAC Name: (5-chloropyridin-2-yl)methanamine;hydrochloride | CAS Registry Number: 871826-13-0
Synonyms: (5-chloropyridin-2-yl)methanamine hydrochloride, 2-AMINOMETHYL-5-CHLOROPYRIDINE HYDROCHLORIDE, SureCN3493988, QC-3058, AK145140, (5-CHLOROPYRIDIN-2-YL)METHANAMINE HCL, C-2476

Molecular Formula: C6H8Cl2N2Molecular Weight: 179.047120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HZUPEPYIDPCKQQ-UHFFFAOYSA-N

• 3-bromo-5-methyl-Imidazo[1,2-a]pyrazine
IUPAC Name: 3-bromo-5-methylimidazo[1,2-a]pyrazine | CAS Registry Number: 1276056-68-8
Synonyms: 3-BROMO-5-METHYLIMIDAZO[1,2-A]PYRAZINE

Molecular Formula: C7H6BrN3Molecular Weight: 212.046640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VVBZADNSXSRZFS-UHFFFAOYSA-N

• 1-(thien-3-yl)ethanol
IUPAC Name: 1-thiophen-3-ylethanol | CAS Registry Number: 14861-60-0
Synonyms: 3-(1-hydroxyethyl)thiophene, 1-(3-thienyl)ethanol, SCHEMBL1300584, AJKKZEHIYREOFF-UHFFFAOYSA-N, AKOS010013790, FT-0608565

Molecular Formula: C6H8OSMolecular Weight: 128.192120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AJKKZEHIYREOFF-UHFFFAOYSA-N

• (4-aminophenyl)cyclopentane
IUPAC Name: 4-cyclopentylaniline | CAS Registry Number: 20029-53-2
Synonyms: AGN-PC-00GQWH, SureCN1064153, Benzenamine, 4-cyclopentyl-, 4-CYCLOPENTYLBENZENAMINE, CTK8H4900, AKOS006308210

Molecular Formula: C11H15NMolecular Weight: 161.243500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BKMMERYBDMQMFJ-UHFFFAOYSA-N

• 4-(hydroxymethyl)-2-methylbenzoic acid
IUPAC Name: 4-(hydroxymethyl)-2-methylbenzoic acid | CAS Registry Number: 861555-67-1
Synonyms: SCHEMBL1627397, GAXTYDGCLIEMIG-UHFFFAOYSA-N, methyl 4-(hydroxymethyl)benzoic acid

Molecular Formula: C9H10O3Molecular Weight: 166.176 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: GAXTYDGCLIEMIG-UHFFFAOYSA-N

• 6-Bromo-1H-pyrazolo[3,4-b]pyridine
IUPAC Name: 6-bromo-1H-pyrazolo[3,4-b]pyridine | CAS Registry Number: 934560-92-6
Synonyms: CTK8C3074, MolPort-022-450-229, ANW-69634, AKOS016006353, AB66635, AK104060, KB-44748, Y5665, 1H-PYRAZOLO[3,4-B]PYRIDINE, 6-BROMO-

Molecular Formula: C6H4BrN3Molecular Weight: 198.020060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GRLXWXRTASHOBS-UHFFFAOYSA-N

• 4-Methoxy Phenyl Hydrazine
IUPAC Name: (4-methoxyphenyl)hydrazine | CAS Registry Number: 3471-32-7
Synonyms: p-Anisylhydrazine, 4-methoxyphenylhydrazine, (p-Methoxyphenyl)hydrazine, (4-Methoxyphenyl)hydrazine, Hydrazine, (4-methoxyphenyl)-, NCIOpen2_001056, ZERO/004587, EINECS 222-439-9, ZINC00088604, TL8001602, 19501-58-7

Molecular Formula: C7H10N2OMolecular Weight: 138.167100 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PVRSIFAEUCUJPK-UHFFFAOYSA-N

• 2-(2,4-Difluorophenyl)thiazole-4-carboxamide
IUPAC Name: 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide | CAS Registry Number: 175276-97-8
Synonyms: 2-(2,4-difluorophenyl)-1,3-thiazole-4-carboxamide, ZINC00121385, Maybridge3_007191, AC1MC6Q1, Oprea1_296423, CTK4D5771, MolPort-001-778-198, HMS1451G19, PC9446, SBB099252, AG-E-25603, QC-3476, IDI1_018578, KB-83147, 4-Carbamoyl-2-(2,4-difluorophenyl)thiazole, FT-0608404, 2-(2,4-difluorophenyl)-4-thiazolecarboxamide, 4-Thiazolecarboxamide,2-(2,4-difluorophenyl)-, 1-(4-Carbamoylthiazol-2-yl)-2,4-difluorobenzene, A811990

Molecular Formula: C10H6F2N2OSMolecular Weight: 240.229246 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: NHQYYXGZHSVWOK-UHFFFAOYSA-N

• 7-Chloro-1-hydroxyisoquinoline
IUPAC Name: 7-chloro-2H-isoquinolin-1-one | CAS Registry Number: 24188-74-7
Synonyms: UX00003544

Molecular Formula: C9H6ClNOMolecular Weight: 179.603040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: YWUCOQGBXQHOJM-UHFFFAOYSA-N

• 4-Chloro-6-methoxypyrimidine
IUPAC Name: 4-chloro-6-methoxypyrimidine | CAS Registry Number: 26452-81-3
Synonyms: 6-chloro-4-pyrimidinyl methyl ether, ZINC00730496, C2357G1, TL8002113, AN-584/43099709

Molecular Formula: C5H5ClN2OMolecular Weight: 144.559000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: KLJGSQVYUGQOAW-UHFFFAOYSA-N

• 7-Azaindole
IUPAC Name: 1H-pyrrolo[2,3-b]pyridine | CAS Registry Number: 271-63-6
Synonyms: 1,7-Diazaindene, 7-Aza-1-pyrindine, 1,7-Dideazapurine, 1H-Pyrrolo[2,3-b]pyridine, 7H-Pyrrolo(2,3-b)pyridine, NCIOpen2_000707, WLN: T56 BM INJ, A95502_ALDRICH, 7H-Pyrrolo[2,3-b]pyridine, 1H-PYRROLO(2,3-b)PYRIDINE, EINECS 205-981-0, NSC 67063, ALBB-006259, NSC67063, NSC77951, SBB004295, ZINC00163728, LS-139467, TL8002195, A-9500

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MVXVYAKCVDQRLW-UHFFFAOYSA-N

• 1-Isoquinolinemethanol
IUPAC Name: isoquinolin-1-ylmethanol | CAS Registry Number: 27311-63-3
Synonyms: isoquinolin-1-ylmethanol, SBB038262, isoquinolylmethan-1-ol, ZINC00158612, 1-isoquinolinylmethanol, AC1MCQTS, Isoquinolin-1-Yl-Methanol, SureCN243298, (Isoquinolin-1-yl)methanol, AC1Q7C4J, Oprea1_707396, 1-(Hydroxymethyl)isoquinoline, CTK1A1724, MolPort-000-489-976, 1-(Hydroxymethyl)-2-azanaphthalene, ANW-57754, AKOS000268310, AG-E-86997, MCULE-8947656316, AK-47054

Molecular Formula: C10H9NOMolecular Weight: 159.184560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HQABEHZXAJHCLV-UHFFFAOYSA-N

• 1-Methyl-1H-pyrazole-4-methanamine hydrochloride
IUPAC Name: (1-methylpyrazol-4-yl)methanamine;hydrochloride | CAS Registry Number: 1107601-70-6
Synonyms: (1-methyl-1H-pyrazol-4-yl)methanamine hydrochloride, AC1Q3BN3, SureCN1690783, CTK8B5525, MolPort-008-478-109, ANW-49029, AKOS015920291, AM81127, QC-3000, AK-76415, BR-76415, KB-205202, X8957, EN300-73505, (1-methylpyrazol-4-yl)methanamine hydrochloride, (1-METHYL-1H-PYRAZOL-4-YL)METHANAMINE HCL, 1H-Pyrazole-4-methanamine, 1-methyl- hydrochloride, 1H-Pyrazole-4-methanamine, 1-methyl-, hydrochloride (1:1)

Molecular Formula: C5H10ClN3Molecular Weight: 147.606000 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IPJABYVHNXMKEV-UHFFFAOYSA-N

• 5-(tert-butoxycarbonyl)-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid
IUPAC Name: 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid | CAS Registry Number: 165948-21-0
Synonyms: PubChem23064, SureCN741444, AGN-PC-006SLJ, CTK7G2965, AKOS015838363, AG-A-81837, QC-4078, AK-49459, AB1000092, KB-244702, 5-boc-4,5,6,7-tetrahydro-1,3-thiazolo[5,4-c]pyridine-2-carboxylic acid, 5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxylic acid

Molecular Formula: C12H16N2O4SMolecular Weight: 284.331440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: LLPCRFYYYVEWMH-UHFFFAOYSA-N

• 3-bromoquinolin-6-yl acetate
IUPAC Name: (3-bromoquinolin-6-yl) acetate | CAS Registry Number: 1022151-47-8
Synonyms: 3-Bromoquinolin-6-yl acetate, 6-Acetoxy-3-bromoquinoline, SureCN3150403, CTK8C0504, ANW-64784, AKOS016005051, AK103452, KB-53264

Molecular Formula: C11H8BrNO2Molecular Weight: 266.090720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ZXPMRDCMTBPCLA-UHFFFAOYSA-N

• 2-Chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine
IUPAC Name: 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine | CAS Registry Number: 1060815-90-8
Synonyms: 2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidine, CTK4A4350, MolPort-019-878-970, ANW-51745, AKOS015850518, AG-L-20245, QC-3734, RP08676, AK-32014, BR-32014, AB1011674, KB-229860, AM20080009, FT-0684707, X8788, C-8626, A801383, 2-chloranyl-5-iodanyl-7H-pyrrolo[2,3-d]pyrimidine

Molecular Formula: C6H3ClIN3Molecular Weight: 279.465590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CPGBAXNIILKLJF-UHFFFAOYSA-N

• 2-(Aminomethyl)-5-bromo-3-fluoropyridine hydrochloride
IUPAC Name: (5-bromo-3-fluoropyridin-2-yl)methanamine;hydrochloride | CAS Registry Number: 1257535-19-5
Synonyms: (5-BROMO-3-FLUOROPYRIDIN-2-YL)METHANAMINE HYDROCHLORIDE, MolPort-016-581-925, QC-3051, KB-82127, C-2560, (5-BROMO-3-FLUOROPYRIDIN-2-YL)METHANAMINE HCL, (5-Bromo-3-fluoropyridin-2-yl)methylamine hydrochloride

Molecular Formula: C6H7BrClFN2Molecular Weight: 241.488583 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: QMRJGDGPGDSYMG-UHFFFAOYSA-N

• 4-Bromo-3-fluoropyridine hydrochloride
IUPAC Name: 4-bromo-3-fluoropyridine;hydrochloride | CAS Registry Number: 1159811-44-5
Synonyms: 4-Bromo-3-fluoropyridine HCl, 3-Fluoro-4-bromopyridine HCl, 3-Fluoro-4-bromopyridine hydrochloride, PubChem6660, SureCN1075567, Jsp005048, CTK8B5790, MolPort-002-041-733, ANW-50122, AKOS005145583, AC-1546, QC-4030, AK-51330, BR-51330, KB-37158, N223, AB1005077, FT-0080250, ST51052259, X9136

Molecular Formula: C5H4BrClFNMolecular Weight: 212.447363 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NNSNDHTUFCXSAS-UHFFFAOYSA-N

• 5-Bromoquinoline-8-carbonitrile
IUPAC Name: 5-bromoquinoline-8-carbonitrile | CAS Registry Number: 507476-70-2
Synonyms: 5-bromoquinoline-8-carbonitrile, 8-Quinolinecarbonitrile, 5-bromo-, AGN-PC-005TEI, SureCN6495336, CTK1E5551, QC-8082, AK-75562, KB-245362

Molecular Formula: C10H5BrN2Molecular Weight: 233.064100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DAYKHFAZOORREQ-UHFFFAOYSA-N

• 1-[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-4-yl]-1-Propanone
IUPAC Name: 1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]propan-1-one | CAS Registry Number: 1105039-60-8
Synonyms: 1-(1-(4-Methoxybenzyl)-1H-pyrazol-4-yl)propan-1-one, SCHEMBL2511099, SZQSVMYOECVAEX-UHFFFAOYSA-N, AKOS022182463, AK-70906, AJ-125956, DB-020230, TX-012832, 1-Propanone,1-[1-[(4-methoxyphenyl)methyl]-1H-pyrazol-4-yl]-

Molecular Formula: C14H16N2O2Molecular Weight: 244.289040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SZQSVMYOECVAEX-UHFFFAOYSA-N

• 2-Chloro-5-ethynylpyrazine
IUPAC Name: 2-chloro-5-ethynylpyrazine | CAS Registry Number: 1196153-73-7
Synonyms: 2-chloro-5-ethynylpyrazine, (5-Chloropyrazin-2-yl)acetylene, 5-Chloro-2-ethynyl-1,4-diazine, AB69152, KB-81922

Molecular Formula: C6H3ClN2Molecular Weight: 138.554420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DMJYCNHBBHKMPC-UHFFFAOYSA-N

• 1-Bromo-7-chloroisoquinoline
IUPAC Name: 1-bromo-7-chloroisoquinoline | CAS Registry Number: 1196155-73-3
Synonyms: 1-BROMO-7-CHLORO-ISOQUINOLINE, CTK8B6193, MolPort-022-907-168, ANW-52918, WTI-10478, AKOS015999929, AB70047, QC-3400, AK-94308, AM806582, BD231654, KB-11792, Y5225

Molecular Formula: C9H5BrClNMolecular Weight: 242.499700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OOPNOHVOHJARSZ-UHFFFAOYSA-N

• 6-chloro-4-methyl-3-Pyridinol
IUPAC Name: 6-chloro-4-methylpyridin-3-ol | CAS Registry Number: 1227502-89-7
Synonyms: 6-Chloro-4-methylpyridin-3-ol, 2-Chloro-5-hydroxy-4-picoline, 2-Chloro-5-hydroxy-4-methylpyridine, MolPort-020-248-132, AB71184, 6-CHLORO-4-METHYL-3-PYRIDINOL, BL009435, KB-82064

Molecular Formula: C6H6ClNOMolecular Weight: 143.570940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MEQPPYQIIPZDIH-UHFFFAOYSA-N

• 6-Bromo-3-iodo-1H-pyrazolo[4,3-b]pyridine
IUPAC Name: 6-bromo-3-iodo-2H-pyrazolo[4,3-b]pyridine | CAS Registry Number: 1305208-17-6
Synonyms: CTK4B6783, ANW-54566, AKOS016001344, AG-L-60191, AK-59603, KB-61737

Molecular Formula: C6H3BrIN3Molecular Weight: 323.916590 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QYKRPCLDVYDBLC-UHFFFAOYSA-N

• 1H-Pyrazolo[3,4-b]pyridine-3-carbonitrile
IUPAC Name: 2H-pyrazolo[3,4-b]pyridine-3-carbonitrile | CAS Registry Number: 956010-88-1
Synonyms: AGN-PC-023LAS, SureCN1639226, SureCN1639227, CTK8B9935, ANW-63660, AKOS016003666, PB25505, AK-78467, KB-65321, 2H-pyrazolo[3,4-b]pyridine-3-carbonitrile

Molecular Formula: C7H4N4Molecular Weight: 144.133460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PVFRYQNNVUSEJD-UHFFFAOYSA-N

• 5-Bromo-4-methoxy-2-methylaniline
IUPAC Name: 5-bromo-4-methoxy-2-methylaniline | CAS Registry Number: 861084-04-0
Synonyms: SureCN680329, CTK8C1937, ANW-67475, AKOS016006773, AK-88190, KB-245198, FT-0689717

Molecular Formula: C8H10BrNOMolecular Weight: 216.075100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KSSWHWHADJOWJF-UHFFFAOYSA-N


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