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Shanghai Sinch Pharmaceuticals Tech. Co., Ltd.

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Profile: Shanghai Sinch Pharmaceuticals Tech. Co., Ltd. is a provider of building blocks and API intermediates. Our building blocks include heterocyclic carboxylic acids & esters, polyfunctional pyrimidines, pyridines, activated aryl chlorides, unnatural amino acids, secondary amines, porphyrins & porphines, nucleosides, aldehydes and ketones. Our heterocyclic carboxylic acids & esters include 7-bromobenzo[d][1,3]dioxole-5-carboxylic acid, benzofuran-7-carboxylic acid, pyrano[4,3-c]pyrazole-3-carboxylic acid, 1,4,6,7-tetrahydro-, 6H-pyrazolo[3,4-c]pyridine-3,6-dicarboxylic acid, 1,4,5,7-tetrahydro-, 6-(1,1-dimethylethyl) ester and 7-(tert-butoxycarbonyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylic acid.

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• 2-Methyl-5-nitropyridine
IUPAC Name: 2-methyl-5-nitropyridine | CAS Registry Number: 21203-68-9
Synonyms: 5-Nitro-2-picoline, Pyridine, 2-methyl-5-nitro-, SBB055701, AG-E-55504, PubChem6699, AC1MDRCT, ACMC-1CEWL, SureCN295673, Pyridine, 2-methyl-5-nitro, KSC494I9P, PYR124, Jsp004331, CTK3J4497, 5-NITRO-2-METHYLPYRIDINE, MolPort-000-140-026, ACN-S001519, ACN-S001949, ACN-S003288, ACT04801, AC-618

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: USZINSZJSVMICC-UHFFFAOYSA-N

• 1,1,1,3,3,3-Hexafluoroisopropyl acrylate
IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate | CAS Registry Number: 2160-89-6
Synonyms: Hexafluoroisopropyl acrylate, 367656_ALDRICH, CID75096, EINECS 218-479-1, ZINC01841395, H107, 2,2,2-Trifluoro-1-(trifluoromethyl)ethyl acrylate, 2-Propenoic acid, 2,2,2-trifluoro-1-(trifluoromethyl)ethyl ester, 151165-63-8

Molecular Formula: C6H4F6O2Molecular Weight: 222.085179 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: MNSWITGNWZSAMC-UHFFFAOYSA-N

• 1-(4,4'-Dichlorobenzhydryl)piperazine
IUPAC Name: 1-[bis(4-chlorophenyl)methyl]piperazine | CAS Registry Number: 27469-61-0
Synonyms: NSC142496, CID285510, NCI60_000932

Molecular Formula: C17H18Cl2N2Molecular Weight: 321.244220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PTLFMGDNZYQISN-UHFFFAOYSA-N

• 4-Methoxypyridine-2-Carboxylic Acid
IUPAC Name: 4-methoxypyridine-2-carboxylate | CAS Registry Number: 29082-91-5
Synonyms: ZINC02456124, CID7012191

Molecular Formula: C7H6NO3-Molecular Weight: 152.127440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UELRAKDBDJRXST-UHFFFAOYSA-M

• 1-(4-Trifluoromethylphenyl)piperazine
IUPAC Name: 1-[4-(trifluoromethyl)phenyl]piperazine | CAS Registry Number: 30459-17-7
Synonyms: 80077_FLUKA, EINECS 250-210-3, CID121718, 1-(4-(Trifluoromethyl)phenyl)piperazine, 1-(4-Trifluoromethyl-phenyl)-piperazine, ST5405634, 1-(alpha,alpha,alpha-Trifluoro-p-tolyl)piperazine

Molecular Formula: C11H13F3N2Molecular Weight: 230.229530 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: IBQMAPSJLHRQPE-UHFFFAOYSA-N

• 3-Bromo-2-pyridinecarboxylic acid
IUPAC Name: 3-bromopyridine-2-carboxylic acid | CAS Registry Number: 30683-23-9
Synonyms: 3-Bromopyridine-2-carboxylic Acid, 3-bromo-2-pyridinecarboxylic acid, 3-bromopicolinic acid, AF-399/40963066, 3-BROMOPYRIDINE-2-CARBOXYLICACID, PubChem5070, ACMC-1CPCH, AC1M0HAV, 3-Bromo-2-picolinic acid, SureCN398923, KSC222G1P, Jsp005777, Jsp005779, CTK1C2317, 3-Bromo-2-pyridinecarboxlic acid, MolPort-000-002-380, 3-Bromo-2-pyridine carboxylic acid, 3-Bromo-pyridine-2-carboxylic acid, ANW-26944, SBB053041

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KBDIRPOTVAODSA-UHFFFAOYSA-N

• 5-Bromo-2-methylpyridine
IUPAC Name: 5-bromo-2-methylpyridine | CAS Registry Number: 3430-13-5
Synonyms: 5-Bromo-2-picoline, 2-Methyl-5-bromopyridine, Ambap5362, 17636_FLUKA, ZINC00966674, CID1201020, TL8002552, AC-907/30003023

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OFKWIQJLYCKDNY-UHFFFAOYSA-N

• 2-Chloro-4-fluoropyridine
IUPAC Name: 2-chloro-4-fluoropyridine | CAS Registry Number: 34941-91-8
Synonyms: ZERO/006255, ZINC02525818, C212, TL8002605

Molecular Formula: C5H3ClFNMolecular Weight: 131.535423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FGSAQRJRWCZLOB-UHFFFAOYSA-N

• 2-Amino-3-ethyl-6-methylpyridine
IUPAC Name: 3-ethyl-6-methylpyridin-2-amine | CAS Registry Number: 41995-31-7
Synonyms: EINECS 255-614-3, 3-Ethyl-6-methylpyridin-2-amine, CID3016311

Molecular Formula: C8H12N2Molecular Weight: 136.194280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OQNDNGDJFBXUID-UHFFFAOYSA-N

• 1-(4-Acetylphenyl)piperazine
IUPAC Name: 1-(4-piperazin-1-ylphenyl)ethanone | CAS Registry Number: 51639-48-6
Synonyms: 4'-Piperazinoacetophenone, Piperazin-4-ylacetophenone, 136468_ALDRICH, EINECS 257-332-6, NSC109890, 1-[4-(1-Piperazinyl)phenyl]ethanone, ST042067, Ethanone, 1-[4-(1-piperazinyl)phenyl]-, InChI=1/C12H16N2O/c1-10(15)11-2-4-12(5-3-11)14-8-6-13-7-9-14/h2-5,13H,6-9H2,1H

Molecular Formula: C12H16N2OMolecular Weight: 204.268240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KPXVKKBJROCIJB-UHFFFAOYSA-N

• 1-(N-Butyl)piperazine
IUPAC Name: 1-butylpiperazine | CAS Registry Number: 5610-49-1
Synonyms: N-Butylpiperazine, 1-Butylpiperazine, 77887_FLUKA, ALBB-002176, CID424322, NSC163107, SBB005884, TL8003645

Molecular Formula: C8H18N2Molecular Weight: 142.241920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YKSVXVKIYYQWBB-UHFFFAOYSA-N

• 4-Methoxypyridine
IUPAC Name: 4-methoxypyridine | CAS Registry Number: 620-08-6
Synonyms: Pyridine, 4-methoxy-, .gamma.-Methoxypyridine, Ambap3937, methyl pyridin-4-yl ether, 460621_ALDRICH, EINECS 210-624-7, ZINC00330918, M113, TL8004012, AC-907/25004551, InChI=1/C6H7NO/c1-8-6-2-4-7-5-3-6/h2-5H,1H

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XQABVLBGNWBWIV-UHFFFAOYSA-N

• (4-Acetylphenyl)thiourea
IUPAC Name: (4-acetylphenyl)thiourea | CAS Registry Number: 71680-92-7
Synonyms: ZINC00156300, NSC177013, CID2735266

Molecular Formula: C9H10N2OSMolecular Weight: 194.253500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: VVIUKYOXYSWCOF-UHFFFAOYSA-N

• 1-(4-Carboxypheny)-2-thiourea
IUPAC Name: 4-(carbamothioylamino)benzoic acid | CAS Registry Number: 7366-56-5
Synonyms: Oprea1_411516, 4-(2-Thioureido)benzoic acid, AIDS114913, AIDS-114913, NSC49255, EINECS 230-910-5, 4-[(Aminothioxomethyl)amino]benzoic acid, ST5171239

Molecular Formula: C8H8N2O2SMolecular Weight: 196.226320 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: FOYDMXZTPAEILY-UHFFFAOYSA-N

• 4-Aminonicotinic acid
IUPAC Name: 4-aminopyridine-3-carboxylic acid | CAS Registry Number: 7418-65-7
Synonyms: 4-aminonicotinic acid, 4-Amino-nicotinic acid, 4-Amino Nicotinic Acid, TPC-PY092, 4-Amino-3-pyridinecarboxylic acid, 11585_FLUKA, NSC266130, ZINC00333065, ST5211895, TL8005122, AF-807/00322021

Molecular Formula: C6H6N2O2Molecular Weight: 138.124040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: IASBMUIXBJNMDW-UHFFFAOYSA-N

• 2,3-Dihydrobenzo[b]furan-5-carboxylic acid
IUPAC Name: 2,3-dihydro-1-benzofuran-5-carboxylic acid | CAS Registry Number: 76429-73-7
Synonyms: 2,3-Dihydrobenzofuran-5-Carboxylic Acid, 2,3-dihydrobenzo[b]furan-5-carboxylic acid, 2,3-dihydro-1-benzofuran-5-carboxylic acid, PubChem9983, CDS1_000209, AC1LDWWZ, PubChem14824, Maybridge1_002497, AC1Q73UY, SureCN1395976, KSC377A5F, DivK1c_001249, STOCK1N-16258, CTK2H7052, HMS548J11, MolPort-000-142-159, ACT01878, 5-Carboxy-2,3-dihydrobenzo[b]furan, ANW-47795, SBB005420

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: YXYOLVAXVPOIMA-UHFFFAOYSA-N

• 1-(5-Chloro-2-methoxyphenyl)piperazine hydrochloride
IUPAC Name: 1-(5-chloro-2-methoxyphenyl)piperazine;hydrochloride | CAS Registry Number: 99857-72-4
Synonyms: 1-(5-chloro-2-methoxyphenyl)piperazine hydrochloride, SBB003080, 4-chloro-1-methoxy-2-piperazinylbenzene, chloride, SureCN1714119, CTK7A6631, MolPort-000-153-201, AKOS015996069, AG-B-79227, AG-I-02656, MCULE-9633488390, KB-147526, FT-0605788, ST50950084, 1-(5-chloro-2-methoxy-phenyl)-piperazine hcl, A846092, 1-(5-chlor-2-methoxyphenyl)-piperazine hydrochloride, 1-(5-chloro-2-methoxy-phenyl)-piperazinehydrochloride, 1-(5-chloro-2-methoxy-phenyl)piperazine hydrochloride, 1-(5-chloranyl-2-methoxy-phenyl)piperazine hydrochloride, 1-(5-Chloro-2-methoxy-phenyl)-piperazine hydrochloride

Molecular Formula: C11H16Cl2N2OMolecular Weight: 263.163540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: NTLFAHFTZBIIPG-UHFFFAOYSA-N

• 1,2,3,4-tetrahydro-quinoxaline
IUPAC Name: 1,2,3,4-tetrahydroquinoxaline | CAS Registry Number: 3476-89-9
Synonyms: Tetrahydroquinoxaline, 1,2,3,4-Tetrahydroquinoxaline, Quinoxaline, 1,2,3,4-tetrahydro-, ARONIS006261, ALD-N007269, NSC48945, NSC 48945, GL-0232, InChI=1/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4,9-10H,5-6H

Molecular Formula: C8H10N2Molecular Weight: 134.178400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HORKYAIEVBUXGM-UHFFFAOYSA-N

• 2-bromo-3-fluoropyridine
IUPAC Name: 2-bromo-3-fluoropyridine | CAS Registry Number: 40273-45-8
Synonyms: 2-Bromo-3-fluoropyridine, AG-F-42670, 2-bromo-3-fluoro-pyridine, PubChem3002, ACMC-1AM6D, 2-Bromo-3-fluoropyridine,, AC1MC7D4, KSC235K8B, CTK1D5580, 5-Fluoro-pyridine-2-carbaldehyde, MolPort-001-777-928, ABBYPHARMA AP-17-5102, ANW-29347, QC-470, RB1083, SBB089105, ZINC02598979, AKOS005063962, AC-6267, AF10145

Molecular Formula: C5H3BrFNMolecular Weight: 175.986423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: IFGLECYAEGYLSJ-UHFFFAOYSA-N

• 2-Chloro-6-Nitropyridine
IUPAC Name: 2-chloro-6-nitropyridine | CAS Registry Number: 94166-64-0
Synonyms: 2-Chloro-6-nitropyridine, EINECS 303-361-5, CID2762886

Molecular Formula: C5H3ClN2O2Molecular Weight: 158.542520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YRSNXUYQRUULNJ-UHFFFAOYSA-N

• 2,5-Di Chloro-3-Amino Pyridine
IUPAC Name: 2,5-dichloropyridin-3-amine | CAS Registry Number: 78607-32-6
Synonyms: 2,5-dichloropyridin-3-amine, 3-Amino-2,5-dichloropyridine, 2,5-dichloro-3-aminopyridine, 2,5-dichloro-3-pyridylamine, 2,5-dichloro-pyridin-3-ylamine, SBB005503, AG-H-15361, ZINC00166669, PubChem5507, ACMC-209per, AC1ME3LJ, KSC495K8J, 3-Amino-2,5-dichloropyridine,, CTK3J5584, MolPort-000-001-336, 2,5-DICHLORO-3-PYRIDINAMINE, ANW-37201, AKOS015851156, AB04748, LS20380

Molecular Formula: C5H4Cl2N2Molecular Weight: 163.004660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OLZPJUVEGSNIJL-UHFFFAOYSA-N

• 2-Fluoro-4-iodopyridine
IUPAC Name: 2-fluoro-4-iodopyridine | CAS Registry Number: 22282-70-8
Synonyms: 4-Iodo-2-fluoropyridine, ZINC02598036, F2382G1, MO 07994, TL8001860

Molecular Formula: C5H3FINMolecular Weight: 222.986893 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ADPRIAVYIGHFSO-UHFFFAOYSA-N

• 2-Bromo-3-nitro-4-picoline
IUPAC Name: 2-bromo-4-methyl-3-nitropyridine | CAS Registry Number: 23056-45-3
Synonyms: 2-bromo-4-methyl-3-nitropyridine, 2-bromo-3-nitro-4-methyl pyridine, AG-E-66866, PubChem5950, CTK4F0779, MolPort-002-041-253, 2-bromo-3-nitro-4-methylpyridine, ANW-41128, SBB065338, ZINC08698087, Pyridine,2-bromo-4-methyl-3-nitro-, AKOS005145579, AB17591, AC-6680, LS20367, RP27018, 4-Picoline,2-bromo-3-nitro- (8CI);, AK-29031, KB-21352, N373

Molecular Formula: C6H5BrN2O2Molecular Weight: 217.020100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LRYKMSPHPLXBHF-UHFFFAOYSA-N

• 5-Methoxy-3-bromopyridine
IUPAC Name: 3-bromo-5-methoxypyridine | CAS Registry Number: 50720-12-2
Synonyms: Ambad280, 3-Bromo-5-methoxypyridine, 631817_ALDRICH, 5-bromopyridin-3-yl methyl ether, ZINC00330883, CID817163, TL8002554, AC-907/25004516

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FZWUIWQMJFAWJW-UHFFFAOYSA-N

• 3-Bromo-5-iodopyridine
IUPAC Name: 3-bromo-5-iodopyridine | CAS Registry Number: 233770-01-9
Synonyms: 3-bromo-5-iodopyridine, Ambad160, 3-Bromo-5-iodo-pyridine, TL8001941, AO-801/41077497

Molecular Formula: C5H3BrINMolecular Weight: 283.892490 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AOOZLVWDZUPEHT-UHFFFAOYSA-N

• 2-Hydroxy-3-chloropyridine
IUPAC Name: 3-chloro-1H-pyridin-2-one | CAS Registry Number: 13466-35-8
Synonyms: 3-Chloro-2-hydroxypyridine, 3-chloropyridin-2-ol, 3-Chloro-2-pyridinol, 3-Chloro-1H-pyridin-2-one, AC-907/34115049, PubChem6538, 3-Chloro-2-pyridone, ACMC-209bwh, 3-chloro-pyridin-2-ol, 3-Chloropyridin-2-ol,, AC1LBG9O, AC1Q3FXZ, SureCN610916, SureCN647472, 3-Chloro-2(1H)-pyridinone, KSC490S4R, Jsp002107, Pyridine, 2-hydroxy-3-chloro-, CTK3J0948, MolPort-002-041-261

Molecular Formula: C5H4ClNOMolecular Weight: 129.544360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XTYNIPUFKBBALX-UHFFFAOYSA-N

• 2-Methoxypyridine-4-carboxaldehyde
IUPAC Name: 2-methoxypyridine-4-carbaldehyde | CAS Registry Number: 72716-87-1
Synonyms: 2-methoxyisonicotinaldehyde, 2-methoxypyridine-4-carbaldehyde, 4-FORMYL-2-METHOXYPYRIDINE, SBB052227, AG-G-86443, 2-Methoxy-pyridine-4-carbaldehyde, PubChem17088, AC1MC7NU, AC1Q4FB5, KSC636M9F, CTK5D6692, MolPort-000-140-123, ACT11384, 4-Pyridinecarboxaldehyde,2-methoxy-, ANW-49839, ZINC08698217, AKOS006230735, PB32415, QC-4222, RP01116

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VOCKNCWQVHJMAE-UHFFFAOYSA-N

• 5-Fluoropyridine-2-carboxylic acid
IUPAC Name: 5-fluoropyridine-2-carboxylic acid | CAS Registry Number: 107504-08-5
Synonyms: 5-fluoropyridine-2-carboxylic Acid, 5-Fluoropicolinic acid, 5-Fluoro-2-picolinic acid, 5-FLUORO-2-PYRIDINECARBOXYLIC ACID, 2-Carboxy-5-fluoropyridine, 5-Fluoropyridine-2-carboxylicacid, SBB065401, AG-D-23095, PubChem14387, 5-fluoropicolinic acid;, 5-Fluoropicolinic acid,, ACMC-2098wr, SureCN110129, AC1MC7H6, KSC174C2T, CTK0H4129, MolPort-000-003-904, 5-FLUORO-2-CARBOXYPYRIDINE, ACN-S004240, 2-Pyridinecarboxylicacid, 5-fluoro-

Molecular Formula: C6H4FNO2Molecular Weight: 141.099863 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: JTKFIIQGMVKDNZ-UHFFFAOYSA-N

• ((S)-piperidin-3-yl)methanol
IUPAC Name: [(3S)-piperidin-3-yl]methanol | CAS Registry Number: 144539-77-5
Synonyms: (S)-(Piperidin-3-yl)methanol, ((S)-PIPERIDIN-3-YL)METHANOL, [(3S)-piperidin-3-yl]methanol, AG-D-87746, 3-Piperidinemethanol,(3S)-, PubChem16102, 3(S)-Piperidinemethanol, AC1LGWH3, SureCN3303200, (3S)-piperidin-3-ylmethanol, [(3S)-3-piperidinyl]methanol, (S)-3-Hydroxymethyl-piperidine, CTK4C4124, MolPort-009-198-025, ANW-49370, WTI-10102, RP00623, AK-29863, BR-29863, KB-27821

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VUNPWIPIOOMCPT-LURJTMIESA-N

• (S)-N,N-dimethylpiperidine-3-carboxamide
IUPAC Name: (3S)-N,N-dimethylpiperidine-3-carboxamide | CAS Registry Number: 737760-99-5
Synonyms: AG-G-92250, (3S)-N,N-dimethyl-3-piperidinecarboxamide, (3S)-N,N-dimethylpiperidine-3-carboxamide, SureCN6791489, CTK5D8651, AKOS006305283, AK-28254, AK-36248, KB-05607, FT-0647547, ST51054241, A837920, I14-2978, 3-Piperidinecarboxamide,N,N-dimethyl-, hydrochloride (1:1), (3S)-, 3-Piperidinecarboxamide,N,N-dimethyl-, monohydrochloride, (3S)- (9CI); (S)-N,N-Dimethyl-2-piperidinecarboxamidehydrochloride, 310455-02-8

Molecular Formula: C8H16N2OMolecular Weight: 156.225440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: KLSDFCJMDZZDKK-ZETCQYMHSA-N

• 6-methoxypyridine-2-carbonitrile
IUPAC Name: 6-methoxypyridine-2-carbonitrile | CAS Registry Number: 83621-01-6
Synonyms: 2-Cyano-6-methoxypyridine, 6-methoxy-2-pyridinecarbonitrile, ACMC-20a4yo, SureCN874972, AGN-PC-00KIJ8, CTK5F0903, MolPort-009-198-314, 2-Pyridinecarbonitrile,6-methoxy-, 2-Pyridinecarbonitrile, 6-methoxy-, ANW-57358, SBB065319, ZINC39374608, AKOS006283242, AG-H-33678, RP01030, AK-29562, KB-199546, FT-0645478, Y5566, A840612

Molecular Formula: C7H6N2OMolecular Weight: 134.135340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: LTSUUWWSGRKYFO-UHFFFAOYSA-N

• 2,3-dihydrobenzofuran-6-carboxylic acid
IUPAC Name: 2,3-dihydro-1-benzofuran-6-carboxylic acid | CAS Registry Number: 301836-57-7
Synonyms: 2,3-dihydrobenzofuran-6-carboxylicacid, 6-Benzofurancarboxylicacid, 2,3-dihydro-, AGN-PC-01VPH6, SureCN4685014, CTK1C1448, MolPort-009-197-448, ANW-75266, SBB067370, AKOS006304982, AG-E-98931, RP22695, AK-29112, KB-16943, 2,3-dihydro-1-benzofuran-6-carboxylic acid, FT-0646105, A820250, I14-3033

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: GOWYEADOSDCIEF-UHFFFAOYSA-N

• 7-bromobenzo[d][1,3]dioxole-5-carboxylic acid
IUPAC Name: 7-bromo-1,3-benzodioxole-5-carboxylic acid | CAS Registry Number: 66799-93-7
Synonyms: SBB067346, 7-bromo-1,3-benzodioxole-5-carboxylic acid, 7-bromo-2H-1,3-benzodioxole-5-carboxylic acid, 5-Bromopiperonylicacid;, AC1NHF75, AC1Q72YK, CTK2F1806, MolPort-000-874-461, AKOS002664808, AG-C-08923, MCULE-3220138071, AK-30106, KB-199903, 1,3-Benzodioxole-5-carboxylicacid, 7-bromo-, EN300-53973, 7-bromanyl-1,3-benzodioxole-5-carboxylic acid, A835550, I14-2990, T6563945, 7-bromo-2H-benzo[d]1,3-dioxolane-5-carboxylic acid

Molecular Formula: C8H5BrO4Molecular Weight: 245.026900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: HLQBEIBAXJNCPT-UHFFFAOYSA-N

• 2-Chloro-5-cyanobenzimidazole
IUPAC Name: 2-chloro-3H-benzimidazole-5-carbonitrile | CAS Registry Number: 401567-00-8
Synonyms: SBB056002, 2-chloro-3H-benzimidazole-5-carbonitrile, 2-Chloro-1H-benzo[d]imidazole-5-carbonitrile, AGN-PC-00EOSH, SureCN1245512, SureCN1245514, CTK4I2550, MolPort-004-752-022, 2-chlorobenzimidazole-6-carbonitrile, ANW-72682, ZINC34638693, AKOS006288747, AG-F-42061, 2-Chloro-1H-benzimidazole-6-carbonitrile, AK-30377, KB-22447, 1H-Benzimidazole-6-carbonitrile,2-chloro-, 2-chloranyl-3H-benzimidazole-5-carbonitrile, FT-0647847, A824939

Molecular Formula: C8H4ClN3Molecular Weight: 177.590460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: WDWQXEUJKGYNPZ-UHFFFAOYSA-N

• 1-(7-amino-3,4-dihydroquinolin-1(2H)-yl)ethanone
IUPAC Name: 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone | CAS Registry Number: 545394-33-0
Synonyms: SBB070320, 1-acetyl-7-amino-1,2,3,4-tetrahydroquinoline, SureCN3585586, CTK5A1528, MolPort-008-448-408, ZINC20182738, AKOS011548146, AG-F-89565, AK-27333, KB-147594, FT-0646314, ST45028462, A830232, 1-(7-amino-3,4-dihydro-2H-quinolin-1-yl)ethanone, I14-2915, 1-(7-azanyl-3,4-dihydro-2H-quinolin-1-yl)ethanone, F2189-0471

Molecular Formula: C11H14N2OMolecular Weight: 190.241660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QPSYNMDBUGKTJA-UHFFFAOYSA-N

• 5-Iodo-2'-Deoxyuridine
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-iodopyrimidine-2,4-dione | CAS Registry Number: 54-42-2
Synonyms: idoxuridine, Herplex, Herpid, Iododeoxyridine, Iodoxuridine, Idoxuridin, Iduridin, Dendrid, Idoxene, Kerecid, Virudox, Stoxil, Joddeoxiuridin, Ophthalmadine, Spectanefran, Antizona, Herpesil, Iduoculos, Iduviran, Heratil

Molecular Formula: C9H11IN2O5Molecular Weight: 354.098510 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: XQFRJNBWHJMXHO-RRKCRQDMSA-N

• 5(4H)-Oxazolone, 2-(1-aminoethyl)-4-methyl
IUPAC Name: 2-(1-aminoethyl)-4-methyl-4H-1,3-oxazol-5-one | CAS Registry Number: 791050-65-2
Synonyms: SBB069933, AKOS015910041, AK-36398, KB-40895, FT-0646560, 2-(1-aminoethyl)-4-methyl-4H-oxazol-5-one, 2-(1-Aminoethyl)-4-methyl-5(4H)-oxazolone, 5(4H)-oxazolone,2-(1-aminoethyl)-4-methyl-, A839583, 2-(1-azanylethyl)-4-methyl-4H-1,3-oxazol-5-one, I14-3064

Molecular Formula: C6H10N2O2Molecular Weight: 142.155800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: QXHHHNXNVPRWDG-UHFFFAOYSA-N

• 5(4H)-Oxazolone, 2-(aminomethyl)-4-methyl
IUPAC Name: 2-(aminomethyl)-4-methyl-4H-1,3-oxazol-5-one | CAS Registry Number: 772327-44-3
Synonyms: SBB069841, AKOS015910058, AK-36347, KB-40896, 2-(aminomethyl)-4-methyl-4H-oxazol-5-one, 2-(Aminomethyl)-4-methyl-5(4H)-oxazolone, FT-0646539, 5(4H)-oxazolone,2-(aminomethyl)-4-methyl-, 2-(aminomethyl)-4-methyl-4H-1,3-oxazol-5-one, A839011, I14-3065

Molecular Formula: C5H8N2O2Molecular Weight: 128.129220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: YDGZPLVFUOBXAB-UHFFFAOYSA-N

• 6-Sulfopicolinic acid
IUPAC Name: 6-sulfopyridine-2-carboxylic acid | CAS Registry Number: 18616-02-9
Synonyms: 6-sulfopyridine-2-carboxylic Acid, AG-E-35391, AC1MC7HK, CTK0H2217, 6-sulfo-2-pyridinecarboxylic acid, Picolinicacid, 6-sulfo- (8CI);, 2-Pyridinecarboxylicacid, 6-sulfo-, SBB065399, AKOS015856752, KB-199667, FT-0645485, A813014, I02-0934

Molecular Formula: C6H5NO5SMolecular Weight: 203.172600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: NEZIRWWXJYCTCR-UHFFFAOYSA-N

• 2,6-Dichloro-3-hydroxypyridine-4-carboxylic acid
IUPAC Name: 2,6-dichloro-3-hydroxypyridine-4-carboxylic acid | CAS Registry Number: 185422-96-2
Synonyms: 2,6-Dichloro-3-hydroxyisonicotinic acid, 2,6-dichloro-3-hydroxypyridine-4-carboxylic acid, AC1MC6YL, CTK0H1299, MolPort-003-824-303, ANW-73940, SBB065380, AKOS015891647, AG-E-34790, 2,6-Dichloro-3-hydroxyisonicotinic acid;, AK-28930, KB-165870, FT-0610567, 2,6-dichloro-3-hydroxy-4-pyridinecarboxylic acid, A812957, 4-Pyridinecarboxylicacid, 2,6-dichloro-3-hydroxy-, I02-0907, 2,6-bis(chloranyl)-3-oxidanyl-pyridine-4-carboxylic acid

Molecular Formula: C6H3Cl2NO3Molecular Weight: 207.998920 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: LOQNBXJKGZGLCJ-UHFFFAOYSA-N

• 2-Methyl-5-iodopyridine
IUPAC Name: 5-iodo-2-methylpyridine | CAS Registry Number: 695-17-0
Synonyms: 5-Iodo-2-methylpyridine, 5-Iodo-2-picoline, PubChem6698, AGN-PC-00ASPL, SureCN3403753, 5-iodanyl-2-methyl-pyridine, Pyridine, 5-iodo-2-methyl-, CTK3J4175, MolPort-003-824-598, ANW-53634, ZINC14983205, AKOS015842570, AK-36128, KB-86834, AB1005342, FT-0646487, ST51052289, W7929, A836524, I02-0732

Molecular Formula: C6H6INMolecular Weight: 219.023010 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FMOQWAKITQNDFW-UHFFFAOYSA-N

• 5-Pyrimidinemethanol, 2-[4-(trifluoromethyl)phenyl]-
IUPAC Name: [2-[4-(trifluoromethyl)phenyl]pyrimidin-5-yl]methanol | CAS Registry Number: 304693-60-5
Synonyms: [2-(4-TRIFLUOROMETHYL-PHENYL)-PYRIMIDIN-5-YL]-METHANOL, SCHEMBL4419039, ZINC95630418, AKOS025149711, ACM304693605, AK284273, HE283412, HE333522, 2-(4-(Trifluoromethyl)phenyl)pyrimidine-5-methanol, 5-hydroxymethyl-2-(4-trifluoromethylphenyl)pyrimidine, (2-(4-(trifluoromethyl)phenyl)pyrimidin-5-yl)methanol

Molecular Formula: C12H9F3N2OMolecular Weight: 254.212 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: YJWRKAAPSNPJHP-UHFFFAOYSA-N

• 4-(3,4-Dimethoxy-Phenyl)-3-Methyl-1h-Pyrazole
IUPAC Name: (3,4-dichlorophenyl)methanesulfonyl chloride | CAS Registry Number: 85952-30-3
Synonyms: 678627_ALDRICH, BZS-Q04-0, 3,4-Dichlorobenzylsulfonyl chloride, BBV-011468, CID2794622, (3,4-Dichlorophenyl)methanesulfonyl chloride, 3,4-Dichlorobenzenemethanesulfonyl chloride, 3,4-Dichloro-alpha-toluenesulfonyl chloride, (3,4-Dichloro-phenyl)-methanesulfonyl chloride

Molecular Formula: C7H5Cl3O2SMolecular Weight: 259.537400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DRYGYFAFCNDLEJ-UHFFFAOYSA-N

• 1-(4-Chlorophenyl)Imidazole
IUPAC Name: 1-(4-chlorophenyl)imidazole | CAS Registry Number: 51581-54-5
Synonyms: 1-(4-Chlorophenyl)imidazole, 1-CPI, 1-(4-Chlorophenyl)-1H-imidazole, ZINC00156200, CID142859, LT00454089, 1CI

Molecular Formula: C9H7ClN2Molecular Weight: 178.618280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BARLRKAYTDVUIS-UHFFFAOYSA-N

• 1,1,1,2,2-Pentafluoro-4-Iodobutane
IUPAC Name: 1,1,1,2,2-pentafluoro-4-iodobutane | CAS Registry Number: 40723-80-6
Synonyms: 00718_FLUKA, 50428_FLUKA, EINECS 255-055-5, 1,1,1,2,2-Pentafluoro-4-iodobutane, 1H,1H,2H,2H-Perfluorobutyl iodide, CID110092, 1,1,2,2-Tetrahydroperfluorobutyl iodide, Butane, 1,1,1,2,2-pentafluoro-4-iodo-, Alkyl iodides, C4-18, gamma-omega-perfluoro, 68390-32-9

Molecular Formula: C4H4F5IMolecular Weight: 273.971046 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: PPXVPFPTMXFUDE-UHFFFAOYSA-N

• 1-(4-Methoxyphenyl)ethylamine
IUPAC Name: 1-(4-methoxyphenyl)ethanamine | CAS Registry Number: 6298-96-0
Synonyms: 1-(4-methoxyphenyl)ethanamine, Oprea1_550150, Oprea1_619895, NSC42442, AKE-BBV-002819, MolPort-000-163-835, ALBB-001478, CID238181, STK346724, BBV-002819

Molecular Formula: C9H13NOMolecular Weight: 151.205620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: JTDGKQNNPKXKII-UHFFFAOYSA-N

• 1-(4-Fluorophenyl)imidazole
IUPAC Name: 1-(4-fluorophenyl)imidazole | CAS Registry Number: 21441-24-7
Synonyms: 1-(4-Fluorophenyl)-1H-imidazole, CHEBI:113341, MolPort-000-155-854, ZINC02528152, 1-(4-Fluoro-phenyl)-1H-imidazole, CID140833

Molecular Formula: C9H7FN2Molecular Weight: 162.163683 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KKKSMWMXKUAZHK-UHFFFAOYSA-N

• 2,2-DIPHENYLOXIRANE
IUPAC Name: 2,2-diphenyloxirane | CAS Registry Number: 882-59-7
Synonyms: 2,2-Diphenyloxirane, Oxirane, 2,2-diphenyl-, MolPort-001-769-994, ZINC02389980, CID93564, EINECS 212-929-0, 10H-304S

Molecular Formula: C14H12OMolecular Weight: 196.244480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PRLJMHVNHLTQJJ-UHFFFAOYSA-N

• 1-(4-Acetyl-piperazine-1-yl)-3-amino-1-propanone hydrochloride
IUPAC Name: 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one;hydrochloride | CAS Registry Number: 701290-61-1
Synonyms: 1-(4-acetylpiperazin-1-yl)-3-aminopropan-1-one hydrochloride, 1-(4-Acetyl-piperazin-1-yl)-3-amino-propan-1-one hydrochloride, 1-(4-acetyl-piperazine-1-yl)-3-amino-1-propanone hydrochloride, AC1MBT7T, SureCN4524439, AC1Q38Y3, CTK8E3023, MolPort-000-150-873, AKOS015996754, MCULE-8196577741, KB-147093, EN300-72364, 1-(4-acetyl-piperazine-1-yl)-3-amino-1-propanone hcl, 1-(4-acetyl-piperazin-1-yl)-3-amino-propan-1-onehydrochloride

Molecular Formula: C9H18ClN3O2Molecular Weight: 235.711120 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: XVBIHUFEURWNQS-UHFFFAOYSA-N

• 1-(4-Bromobutoxy)-4-methoxy-benzene
IUPAC Name: 1-(4-bromobutoxy)-4-methoxybenzene | CAS Registry Number: 2033-83-2
Synonyms: Ambcb5475809, MolPort-001-757-208, ZINC02571601, 1-(4-Bromobutoxy)-4-methoxybenzene, CID2063668

Molecular Formula: C11H15BrO2Molecular Weight: 259.139600 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: XNMUBVHIMDDDNF-UHFFFAOYSA-N


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