合成有机化合物配体 - 小分子和化合物库

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PF-562271,可逆FAK抑制剂
- ≥98%
CAS号: 717907-75-0

分子式: C₂₁H₂₀F₃N₇O₃S 分子量: 507.49

IUPAC Name: N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

SMILES: CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C

InChIKey: MZDKLVOWGIOKTN-UHFFFAOYSA-N

InChI: 1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
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PHA-848125,ATP竞争性CDK2和TRKA抑制剂
- ≥98%
CAS号: 802539-81-7

分子式: C₂₅H₃₂N₈O 分子量: 460.57

IUPAC Name: N,1,4,4-tetramethyl-8-[4-(4-methylpiperazin-1-yl)anilino]-5H-pyrazolo[4,3-h]quinazoline-3-carboxamide

SMILES: CC1(CC2=CN=C(N=C2C3=C1C(=NN3C)C(=O)NC)NC4=CC=C(C=C4)N5CCN(CC5)C)C

InChIKey: RXZMYLDMFYNEIM-UHFFFAOYSA-N

InChI: 1S/C25H32N8O/c1-25(2)14-16-15-27-24(29-20(16)22-19(25)21(23(34)26-3)30-32(22)5)28-17-6-8-18(9-7-17)33-12-10-31(4)11-13-33/h6-9,15H,10-14H2,1-5H3,(H,26,34)(H,27,28,29)
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R547,cdk抑制剂
- ≥98%
CAS号: 741713-40-6 Compound CID : 6918852

分子式: C₁₈H₂₁F₂N₅O₄S 分子量: 441.45

IUPAC Name: [4-amino-2-[(1-methylsulfonylpiperidin-4-yl)amino]pyrimidin-5-yl]-(2,3-difluoro-6-methoxyphenyl)methanone

SMILES: COC1=C(C(=C(C=C1)F)F)C(=O)C2=CN=C(N=C2N)NC3CCN(CC3)S(=O)(=O)C

InChIKey: JRNJNYBQQYBCLE-UHFFFAOYSA-N

InChI: 1S/C18H21F2N5O4S/c1-29-13-4-3-12(19)15(20)14(13)16(26)11-9-22-18(24-17(11)21)23-10-5-7-25(8-6-10)30(2,27)28/h3-4,9-10H,5-8H2,1-2H3,(H3,21,22,23,24)
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SB1317
- ≥98%
CAS号: 937270-47-8 Compound CID : 16739650

分子式: C₂₃H₂₄N₄O 分子量: 372.46

IUPAC Name: (16E)-14-methyl-20-oxa-5,7,14,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

SMILES: CN1CC=CCCOC2=CC=CC(=C2)C3=NC(=NC=C3)NC4=CC=CC(=C4)C1

InChIKey: VXBAJLGYBMTJCY-NSCUHMNNSA-N

InChI: 1S/C23H24N4O/c1-27-13-3-2-4-14-28-21-10-6-8-19(16-21)22-11-12-24-23(26-22)25-20-9-5-7-18(15-20)17-27/h2-3,5-12,15-16H,4,13-14,17H2,1H3,(H,24,25,26)/b3-2+
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(2'Z,3'E)-6-溴靛玉红-3'-肟
- ≥98%
CAS号: 667463-62-9

分子式: C₁₆H₁₀BrN₃O₂ 分子量: 356.17

IUPAC Name: 6-bromo-3-(3-nitroso-1H-indol-2-yl)-1H-indol-2-ol

SMILES: C1=CC=C2C(=C1)C(=C(N2)C3=C(NC4=C3C=CC(=C4)Br)O)N=O

InChIKey: SAQUSDSPQYQNBG-UHFFFAOYSA-N

InChI: 1S/C16H10BrN3O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)15-14(20-22)10-3-1-2-4-11(10)18-15/h1-7,18-19,21H
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AT7519,CDK抑制剂
- ≥99%
CAS号: 844442-38-2

分子式: C₁₆H₁₇Cl₂N₅O₂ 分子量: 382.24

IUPAC Name: 4-[(2,6-dichlorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

SMILES: C1CNCCC1NC(=O)C2=C(C=NN2)NC(=O)C3=C(C=CC=C3Cl)Cl

InChIKey: OVPNQJVDAFNBDN-UHFFFAOYSA-N

InChI: 1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
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JNJ-7706621,泛CDK抑制剂
- ≥98%
CAS号: 443797-96-4

分子式: C₁₅H₁₂F₂N₆O₃S 分子量: 394.36

IUPAC Name: 4-[[5-amino-1-(2,6-difluorobenzoyl)-1,2,4-triazol-3-yl]amino]benzenesulfonamide

SMILES: C1=CC(=C(C(=C1)F)C(=O)N2C(=NC(=N2)NC3=CC=C(C=C3)S(=O)(=O)N)N)F

InChIKey: KDKUVYLMPJIGKA-UHFFFAOYSA-N

InChI: 1S/C15H12F2N6O3S/c16-10-2-1-3-11(17)12(10)13(24)23-14(18)21-15(22-23)20-8-4-6-9(7-5-8)27(19,25)26/h1-7H,(H2,19,25,26)(H3,18,20,21,22)
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肯帕罗酮
- ≥97%(HPLC)
CAS号: 142273-20-9

分子式: C₁₆H₁₁BrN₂O 分子量: 327.18

IUPAC Name: 9-bromo-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

SMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)Br

InChIKey: QQUXFYAWXPMDOE-UHFFFAOYSA-N

InChI: 1S/C16H11BrN2O/c17-9-5-6-14-11(7-9)12-8-15(20)18-13-4-2-1-3-10(13)16(12)19-14/h1-7,19H,8H2,(H,18,20)
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Purvalanol B,CDK2抑制剂
- ≥96%
CAS号: 212844-54-7 Compound CID : 448991

分子式: C₂₀H₂₅ClN₆O₃ 分子量: 432.9

IUPAC Name: 2-chloro-4-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-9-propan-2-ylpurin-6-yl]amino]benzoic acid

SMILES: CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=C(C=C3)C(=O)O)Cl

InChIKey: ZKDXRFMOHZVXSG-HNNXBMFYSA-N

InChI: 1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1
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Aminopurvalanol A
- ≥99%
CAS号: 220792-57-4

分子式: C₁₉H₂₆ClN₇O 分子量: 403.91

IUPAC Name: (2R)-2-[[6-(3-amino-5-chloroanilino)-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol

SMILES: CC(C)C(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NC3=CC(=CC(=C3)N)Cl

InChIKey: RAMROQQYRRQPDL-HNNXBMFYSA-N

InChI: 1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m0/s1
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(S)-CR8,CDK 1,2,5,7 and 9抑制剂
- ≥98%
CAS号: 1084893-56-0

分子式: C₂₄H₂₉N₇O 分子量: 431.53

IUPAC Name: (2S)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol

SMILES: CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4

InChIKey: HOCBJBNQIQQQGT-IBGZPJMESA-N

InChI: 1S/C24H29N7O/c1-4-19(14-32)28-24-29-22(21-23(30-24)31(15-27-21)16(2)3)26-13-17-8-10-18(11-9-17)20-7-5-6-12-25-20/h5-12,15-16,19,32H,4,13-14H2,1-3H3,(H2,26,28,29,30)/t19-/m0/s1
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阿特波龙
- ≥98%
CAS号: 237430-03-4

分子式: C₁₆H₁₁N₃O₃ 分子量: 293.28

IUPAC Name: 9-nitro-7,12-dihydro-5H-indolo[3,2-d][1]benzazepin-6-one

SMILES: C1C2=C(C3=CC=CC=C3NC1=O)NC4=C2C=C(C=C4)[N+](=O)[O-]

InChIKey: OLUKILHGKRVDCT-UHFFFAOYSA-N

InChI: 1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
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