配体家族 - 小分子和化合物库

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Tideglusib,非ATP竞争性GSK-3β抑制剂
- ≥98%
CAS号: 865854-05-3 Compound CID : 11313622

分子式: C₁₉H₁₄N₂O₂S 分子量: 334.39

IUPAC Name: 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChIKey: PMJIHLSCWIDGMD-UHFFFAOYSA-N

InChI: 1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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UCN-01,PKC抑制剂
- ≥95%(HPLC)
CAS号: 112953-11-4 Compound CID : 72271

分子式: C₂₈H₂₆N₄O₄ 分子量: 482.53

IUPAC Name: (2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)C(NC6=O)O)NC)OC

InChIKey: PBCZSGKMGDDXIJ-HQCWYSJUSA-N

InChI: 1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-See more
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兰雪醌
- ≥98%
CAS号: 481-42-5 Compound CID : 10205

分子式: C₁₁H₈O₃ 分子量: 188.18

IUPAC Name: 5-hydroxy-2-methylnaphthalene-1,4-dione

SMILES: CC1=CC(=O)C2=C(C1=O)C=CC=C2O

InChIKey: VCMMXZQDRFWYSE-UHFFFAOYSA-N

InChI: 1S/C11H8O3/c1-6-5-9(13)10-7(11(6)14)3-2-4-8(10)12/h2-5,12H,1H3
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TCS 21311,JAK3抑制剂
- ≥98%
CAS号: 1260181-14-3 Compound CID : 50925411

分子式: C₂₇H₂₅F₃N₄O₄ 分子量: 526.51

IUPAC Name: 3-[5-[4-(2-hydroxy-2-methylpropanoyl)piperazin-1-yl]-2-(trifluoromethyl)phenyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione

SMILES: CC(C)(C(=O)N1CCN(CC1)C2=CC(=C(C=C2)C(F)(F)F)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)O

InChIKey: CLGRAWDGLMENOD-UHFFFAOYSA-N

InChI: 1S/C27H25F3N4O4/c1-26(2,38)25(37)34-11-9-33(10-12-34)15-7-8-19(27(28,29)30)17(13-15)21-22(24(36)32-23(21)35)18-14-31-20-6-4-3-5-16(18)20/h3-8,13-14,31,38H,9-12H2,1-2H3,(H,32,35,36)
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TC-G 24,GSK-3β抑制剂
- ≥98%(HPLC)
CAS号: 1257256-44-2 Compound CID : 49857866

分子式: C₁₅H₁₁ClN₄O₃ 分子量: 330.73

IUPAC Name: N-(3-chloro-4-methylphenyl)-5-(4-nitrophenyl)-1,3,4-oxadiazol-2-amine

SMILES: CC1=C(C=C(C=C1)NC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])Cl

InChIKey: JYCNWQGNEJYDQS-UHFFFAOYSA-N

InChI: 1S/C15H11ClN4O3/c1-9-2-5-11(8-13(9)16)17-15-19-18-14(23-15)10-3-6-12(7-4-10)20(21)22/h2-8H,1H3,(H,17,19)
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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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Tideglusib
- 10mM in DMSO
CAS号: 865854-05-3 Compound CID : 11313622

分子式: C₁₉H₁₄N₂O₂S 分子量: 334.39

IUPAC Name: 4-benzyl-2-naphthalen-1-yl-1,2,4-thiadiazolidine-3,5-dione

SMILES: C1=CC=C(C=C1)CN2C(=O)N(SC2=O)C3=CC=CC4=CC=CC=C43

InChIKey: PMJIHLSCWIDGMD-UHFFFAOYSA-N

InChI: 1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2
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SAR502250
- 10mM in DMSO
CAS号: 503860-57-9 Compound CID : 56589672

分子式: C₁₉H₁₈FN₅O₂ 分子量: 367.38
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CF53
- 10mM in DMSO
CAS号: 1808160-52-2 Compound CID : 118340554

分子式: C₂₄H₂₅N₇O₂ 分子量: 443.50
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GW779439X
- 10mM in DMSO
CAS号: 551919-98-3 Compound CID : 10173796

分子式: C₂₂H₂₁F₃N₈ 分子量: 454.46
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CF53
- ≥99%
CAS号: 1808160-52-2 Compound CID : 118340554

分子式: C₂₄H₂₅N₇O₂ 分子量: 443.50

IUPAC Name: N-(5-cyclopropyl-2-methylpyrazol-3-yl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-6-methoxy-2-methyl-9H-pyrimido[4,5-b]indol-4-amine

SMILES: CC1=C(C(=NO1)C)C2=C(C=C3C(=C2)NC4=C3C(=NC(=N4)C)NC5=CC(=NN5C)C6CC6)OC

InChIKey: JIYPVUCBRQNICX-UHFFFAOYSA-N

InChI: 1S/C24H25N7O2/c1-11-21(12(2)33-30-11)16-8-18-15(9-19(16)32-5)22-23(27-18)25-13(3)26-24(22)28-20-10-17(14-6-7-14)29-31(20)4/h8-10,14H,6-7H2,1-5H3,(H2,25,26,27,28)
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GNE-207
- ≥97%
CAS号: 2158266-58-9 Compound CID : 132186469

分子式: C₂₉H₃₀N₆O₃ 分子量: 510.59

IUPAC Name: 5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]isoquinolin-3-yl]-N-methylpyridine-2-carboxamide

SMILES: CC(=O)N1CCC2=C(C1)C(=NN2C3CCOCC3)C4=CC=CC5=CC(=NC=C54)C6=CN=C(C=C6)C(=O)NC

InChIKey: MUJXZEDIWKGKQD-UHFFFAOYSA-N

InChI: 1S/C29H30N6O3/c1-18(36)34-11-8-27-24(17-34)28(33-35(27)21-9-12-38-13-10-21)22-5-3-4-19-14-26(32-16-23(19)22)20-6-7-25(31-15-20)29(37)30-2/h3-7,14-16,21H,8-13,17H2,1-2H3,(H,30,37)
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