配体家族 - 小分子和化合物库

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HBX 41108,USP7抑制剂
- ≥98%(HPLC)
CAS号: 924296-39-9

分子式: C₁₃H₃ClN₄O 分子量: 266.64

IUPAC Name: 7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

SMILES: C1=CC2=C(C=C1Cl)C(=O)C3=NC(=C(N=C23)C#N)C#N

InChIKey: BIGPXXAUSQLTQR-UHFFFAOYSA-N

InChI: 1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H
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Abemaciclib
- 10mM in DMSO
CAS号: 1231929-97-7

分子式: C₂₇H₃₂F₂N₈ 分子量: 506.59

IUPAC Name: N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine

SMILES: CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

InChIKey: UZWDCWONPYILKI-UHFFFAOYSA-N

InChI: 1S/C27H32F2N8/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34)
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TG 003
- 10mM in DMSO
CAS号: 719277-26-6 Compound CID : 1893668

分子式: C₁₃H₁₅NO₂S 分子量: 249.33

IUPAC Name: (1Z)-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one

SMILES: CCN1C2=C(C=CC(=C2)OC)SC1=CC(=O)C

InChIKey: BGVLELSCIHASRV-QPEQYQDCSA-N

InChI: 1S/C13H15NO2S/c1-4-14-11-8-10(16-3)5-6-12(11)17-13(14)7-9(2)15/h5-8H,4H2,1-3H3/b13-7-
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GNE-6640
- 10mM in DMSO
CAS号: 2009273-67-8 Compound CID : 122531786

分子式: C₂₀H₁₈N₄O 分子量: 330.4
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GNE-6640
- ≥99%
CAS号: 2009273-67-8 Compound CID : 122531786

分子式: C₂₀H₁₈N₄O 分子量: 330.4

IUPAC Name: 4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol

SMILES: CCC1=C(C(=NC=C1C2=CC3=C(C=C2)NN=C3)N)C4=CC=C(C=C4)O

InChIKey: ZHYXJQQBKROZDX-UHFFFAOYSA-N

InChI: 1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
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USP7-IN-3
- ≥99%
CAS号: 2202738-42-7 Compound CID : 131750088

分子式: C₂₉H₃₁F₃N₆O₃ 分子量: 568.59

IUPAC Name: 3-[4-(aminomethyl)phenyl]-6-[[4-hydroxy-1-[(3R)-4,4,4-trifluoro-3-phenylbutanoyl]piperidin-4-yl]methyl]-2-methylpyrazolo[4,3-d]pyrimidin-7-one

SMILES: CN1C(=C2C(=N1)C(=O)N(C=N2)CC3(CCN(CC3)C(=O)CC(C4=CC=CC=C4)C(F)(F)F)O)C5=CC=C(C=C5)CN

InChIKey: RLPQYKGBXQQARM-JOCHJYFZSA-N

InChI: 1S/C29H31F3N6O3/c1-36-26(21-9-7-19(16-33)8-10-21)24-25(35-36)27(40)38(18-34-24)17-28(41)11-13-37(14-12-28)23(39)15-22(29(30,31)32)20-5-3-2-4-6-20/h2-10,18,22,41H,11-17,33H2,1H3/t22-/m1/s1
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CLK1-IN-1
- ≥99%
CAS号: 2123491-32-5 Compound CID : 129318964

分子式: C₂₄H₁₆FN₅O 分子量: 409.42

IUPAC Name: 5-[1-[(1S)-1-(4-fluorophenyl)ethyl]triazolo[4,5-c]quinolin-8-yl]-1,3-benzoxazole

SMILES: CC(C1=CC=C(C=C1)F)N2C3=C4C=C(C=CC4=NC=C3N=N2)C5=CC6=C(C=C5)OC=N6

InChIKey: BHKVSOQUPYXVRZ-AWEZNQCLSA-N

InChI: 1S/C24H16FN5O/c1-14(15-2-6-18(25)7-3-15)30-24-19-10-16(4-8-20(19)26-12-22(24)28-29-30)17-5-9-23-21(11-17)27-13-31-23/h2-14H,1H3/t14-/m0/s1
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USP7/USP47 inhibitor
- ≥98%
CAS号: 1247825-37-1 Compound CID : 51031028

分子式: C₁₈H₁₁Cl₂N₃O₃S₃ 分子量: 484.4

IUPAC Name: 4-cyano-5-(3,5-dichloropyridin-4-yl)sulfanyl-N-(4-methylsulfonylphenyl)thiophene-2-carboxamide

SMILES: CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(S2)SC3=C(C=NC=C3Cl)Cl)C#N

InChIKey: GUDJFFQZIISQJB-UHFFFAOYSA-N

InChI: 1S/C18H11Cl2N3O3S3/c1-29(25,26)12-4-2-11(3-5-12)23-17(24)15-6-10(7-21)18(27-15)28-16-13(19)8-22-9-14(16)20/h2-6,8-9H,1H3,(H,23,24)
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CLK1-IN-1
- 10mM in DMSO
CAS号: 2123491-32-5 Compound CID : 129318964

分子式: C₂₄H₁₆FN₅O 分子量: 409.42
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USP7/USP47 inhibitor
- 10mM in DMSO
CAS号: 1247825-37-1 Compound CID : 51031028

分子式: C₁₈H₁₁Cl₂N₃O₃S₃ 分子量: 484.4
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