Chlorinated biphenyls

K-Ras G12C-IN-1

Grade & Purity:

≥98%

Cas Number: 1629265-17-3 Compound CID: 90462972

Formula: C₂₂H₂₃Cl₂N₃O₃ Molecular Weight: 448.34

IUPAC Name: 1-[4-[2-[4-chloro-5-(2-chlorophenyl)-2-methoxyanilino]acetyl]piperazin-1-yl]prop-2-en-1-one

SMILES: COC1=C(C=C(C(=C1)Cl)C2=CC=CC=C2Cl)NCC(=O)N3CCN(CC3)C(=O)C=C

InChIKey: ZJWLFLPGQCYBSE-UHFFFAOYSA-N

InChI: InChI=1S/C22H23Cl2N3O3/c1-3-21(28)26-8-10-27(11-9-26)22(29)14-25-19-12-16(18(24)13-20(19)30-2)15-6-4-5-7-17(15)23/h3-7,12-13,25H,1,8-11,14H2,2H3

Details

Pricing Close

K-Ras G12C-IN-3

Grade & Purity:

≥99%

Cas Number: 1629268-19-4 Compound CID: 92044410

Formula: C₂₁H₁₉Cl₃N₂O₃ Molecular Weight: 453.75

IUPAC Name: 1-[4-[4-chloro-5-(2,5-dichlorophenyl)-2-methoxybenzoyl]piperazin-1-yl]prop-2-en-1-one

SMILES: COC1=C(C=C(C(=C1)Cl)C2=C(C=CC(=C2)Cl)Cl)C(=O)N3CCN(CC3)C(=O)C=C

InChIKey: RPBHAPLCWWQJAK-UHFFFAOYSA-N

InChI: InChI=1S/C21H19Cl3N2O3/c1-3-20(27)25-6-8-26(9-7-25)21(28)16-11-15(18(24)12-19(16)29-2)14-10-13(22)4-5-17(14)23/h3-5,10-12H,1,6-9H2,2H3

Synonyms: 1-[4-[(2',5',6-Trichloro-4-methoxy[1,1'-biphenyl]-3-yl)carbonyl]-1-piperazinyl]-2-propen-1-one | HY-18606 | 1-[4-[4-c...

Details

Pricing Close

tebuquine

Grade & Purity:

Moligand™

Cas Number: 74129-03-6 Compound CID: 71991

IUPAC Name: 2-[(tert-butylamino)methyl]-6-(4-chlorophenyl)-4-[(7-chloroquinolin-4-yl)amino]phenol

SMILES: CC(C)(C)NCC1=C(C(=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)C4=CC=C(C=C4)Cl)O

InChIKey: BCHMRNALCJISMZ-UHFFFAOYSA-N

InChI: InChI=1S/C26H25Cl2N3O/c1-26(2,3)30-15-17-12-20(14-22(25(17)32)16-4-6-18(27)7-5-16)31-23-10-11-29-24-13-19(28)8-9-21(23)24/h4-14,30,32H,15H2,1-3H3,(H,2show more

Details

Pricing Close

rodatristat

Grade & Purity:

Moligand™

Cas Number: 1673568-73-4 Compound CID: 117947705

IUPAC Name: (3S)-8-[2-amino-6-[(1R)-1-(4-chloro-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

SMILES: Nc1nc(cc(n1)N1CCC2(CC1)CN[C@@H](C2)C(=O)O)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl

InChIKey: ZNSPHKJFQDEABI-NZQKXSOJSA-N

InChI: InChI=1S/C27H27ClF3N5O3/c28-17-6-7-18(19(12-17)16-4-2-1-3-5-16)23(27(29,30)31)39-22-13-21(34-25(32)35-22)36-10-8-26(9-11-36)14-20(24(37)38)33-15-26/h1show more

Synonyms: UNII-91D8378G2V | (3S)-8-(2-Amino-6-((1R)-1-(5-chloro(1,1'-biphenyl)-2-yl)-2,2,2-trifluoroethoxy)-4-pyrimidinyl)-2,8-...

Details

Pricing Close

rodatristat ethyl

Grade & Purity:

Moligand™

≥97%

Cas Number: 1673571-51-1 Compound CID: 92045025

Formula: C₂₉H₃₁ClF₃N₅O₃ Molecular Weight: 590.04

IUPAC Name: ethyl (3S)-8-[2-amino-6-[(1R)-1-(4-chloro-2-phenylphenyl)-2,2,2-trifluoroethoxy]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decane-3-carboxylate

SMILES: CCOC(=O)[C@H]1NCC2(C1)CCN(CC2)c1cc(nc(n1)N)O[C@@H](C(F)(F)F)c1ccc(cc1c1ccccc1)Cl

InChIKey: TZSZZENYCISATO-WIOPSUGQSA-N

InChI: InChI=1S/C29H31ClF3N5O3/c1-2-40-26(39)22-16-28(17-35-22)10-12-38(13-11-28)23-15-24(37-27(34)36-23)41-25(29(31,32)33)20-9-8-19(30)14-21(20)18-6-4-3-5-7show more

Details

Pricing Close

evixapodlin

Grade & Purity:

Moligand™

≥98%

Cas Number: 2374856-75-2 Compound CID: 139415912

Formula: C₃₄H₃₆Cl₂N₈O₄ Molecular Weight: 691.61

IUPAC Name: (5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]metshow more

SMILES: COC1=NC(=CN=C1CNCC2CCC(=O)N2)C3=CC=CC(=C3Cl)C4=C(C(=CC=C4)C5=CN=C(C(=N5)OC)CNCC6CCC(=O)N6)Cl

InChIKey: OIIOPWHTJZYKIL-PMACEKPBSA-N

InChI: InChI=1S/C34H36Cl2N8O4/c1-47-33-27(15-37-13-19-9-11-29(45)41-19)39-17-25(43-33)23-7-3-5-21(31(23)35)22-6-4-8-24(32(22)36)26-18-40-28(34(44-26)48-2)16-show more

Synonyms: PD-1/PD-L1-IN 7 | GS-4224

Details

Pricing Close

example 166 [WO2014154727]

Grade & Purity:

Moligand™

IUPAC Name: 3-[3-[3-(2-amino-2-oxoethyl)phenyl]-5-chlorophenyl]-3-(5-methyl-1,3-thiazol-2-yl)propanoic acid

SMILES: OC(=O)CC(c1ncc(s1)C)c1cc(Cl)cc(c1)c1cccc(c1)CC(=O)N

InChIKey: SRVXSISGYBMIHR-UHFFFAOYSA-N

InChI: InChI=1S/C21H19ClN2O3S/c1-12-11-24-21(28-12)18(10-20(26)27)16-7-15(8-17(22)9-16)14-4-2-3-13(5-14)6-19(23)25/h2-5,7-9,11,18H,6,10H2,1H3,(H2,23,25)(H,26show more

Details

Pricing Close

FERb 033

Grade & Purity:

Moligand™

IUPAC Name: 2-chloro-3-(3-fluoro-4-hydroxyphenyl)-6-[(1E)-(hydroxyimino)methyl]phenol

SMILES: O/N=C/c1ccc(c(c1O)Cl)c1ccc(c(c1)F)O

InChIKey: LRRMQNGSYOUANY-OMCISZLKSA-N

InChI: InChI=1S/C13H9ClFNO3/c14-12-9(3-1-8(6-16-19)13(12)18)7-2-4-11(17)10(15)5-7/h1-6,17-19H/b16-6+

Synonyms: compound 3;DPN

Details

Pricing Close

AZD4320

Grade & Purity:

Moligand™

Cas Number: 1357576-48-7 Compound CID: 86661883

IUPAC Name: 4-[4-[(R)-[2-(4-chlorophenyl)phenyl]-hydroxymethyl]piperidin-1-yl]-N-[4-[[(2R)-4-[2-hydroxyethyl(methyl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-(trshow more

SMILES: CN(CCC(CSC1=CC=CC=C1)NC2=C(C=C(C=C2)S(=O)(=O)NC(=O)C3=CC=C(C=C3)N4CCC(CC4)C(C5=CC=CC=C5C6=CC=C(C=C6)Cl)O)S(=O)(=O)C(F)(F)F)CCO

InChIKey: UNEJSHNDABUZNY-UJNHCCGESA-N

InChI: InChI=1S/C45H48ClF3N4O7S3/c1-52(27-28-54)24-23-35(30-61-37-7-3-2-4-8-37)50-41-20-19-38(29-42(41)62(57,58)45(47,48)49)63(59,60)51-44(56)33-13-17-36(18-show more

Synonyms: 4-(4-((R)-(4'-chloro-[1,1'-biphenyl]-2-yl)(hydroxy)methyl)piperidin-1-yl)-N-((4-(((R)-4-((2-hydroxyethyl)(methyl)amin...

Details

Pricing Close

BAY-297

Grade & Purity:

Moligand™

IUPAC Name: (2R)-2-[[2-[4-(3-chloro-2-fluorophenyl)phenyl]-3-cyano-1,7-naphthyridin-4-yl]amino]butanamide

SMILES: Clc1c(c(ccc1)c1ccc(cc1)c1nc2cnccc2c(c1C#N)N[C@@H](C(=O)N)CC)F

InChIKey: LACMSNCHWBQXEK-HXUWFJFHSA-N

InChI: InChI=1S/C25H19ClFN5O/c1-2-20(25(29)33)31-24-17-10-11-30-13-21(17)32-23(18(24)12-28)15-8-6-14(7-9-15)16-4-3-5-19(26)22(16)27/h3-11,13,20H,2H2,1H3,(H2,show more

Synonyms: BAY297;compound 58

Details

Pricing Close

8-[4-(3-chlorophenyl)benzoyl]-3-(pyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane

Grade & Purity:

Moligand™

IUPAC Name: 8-[4-(3-chlorophenyl)benzoyl]-3-(pyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octane

SMILES: Clc1cccc(c1)c1ccc(cc1)C(=O)N1C2CCC1CN(C2)c1ncccn1

InChIKey: FNHAFYQTHUKPIU-UHFFFAOYSA-N

InChI: InChI=1S/C23H21ClN4O/c24-19-4-1-3-18(13-19)16-5-7-17(8-6-16)22(29)28-20-9-10-21(28)15-27(14-20)23-25-11-2-12-26-23/h1-8,11-13,20-21H,9-10,14-15H2

Synonyms: compound 58

Details

Pricing Close

2-chloro-5-(3-{[(2-cyclopentyl-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)oxy]methyl}phenyl)benzoic acid

Grade & Purity:

Moligand™

IUPAC Name: 2-chloro-5-(3-{[(2-cyclopentyl-3-oxo-2,3-dihydro-1,2-benzothiazol-6-yl)oxy]methyl}phenyl)benzoic acid

SMILES: OC(=O)c1cc(ccc1Cl)c1cccc(c1)COc1ccc2c(c1)sn(c2=O)C1CCCC1

InChIKey: ZQBPXBADOJMCRU-UHFFFAOYSA-N

InChI: InChI=1S/C26H22ClNO4S/c27-23-11-8-18(13-22(23)26(30)31)17-5-3-4-16(12-17)15-32-20-9-10-21-24(14-20)33-28(25(21)29)19-6-1-2-7-19/h3-5,8-14,19H,1-2,6-7,show more

Synonyms: compound 14

Details

Pricing Close

Chlorinated biphenyls

Description:

Ancestors: