配体家族 - 小分子和化合物库

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Raf inhibitor 1
- 10mM in DMSO
CAS号: 1093100-40-3 Compound CID : 44223999

分子式: C₂₆H₁₉ClN₈ 分子量: 478.9
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Atabecestat
- 10mM in DMSO
CAS号: 1200493-78-2 EC号: 807-396-1

分子式: C₁₈H₁₄FN₅OS 分子量: 367.40
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PF-06751979
- 10mM in DMSO
CAS号: 1818339-66-0 Compound CID : 118435360

分子式: C₁₈H₁₉F₂N₅O₃S₂ 分子量: 455.50
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Umibecestat
- ≥99%
CAS号: 1387560-01-1 Compound CID : 88602735

分子式: C₁₉H₁₅ClF₇N₅O₂ 分子量: 513.80

IUPAC Name: N-[6-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-5-fluoropyridin-2-yl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide

SMILES: CC1(COC(C(=N1)N)(C)C(F)(F)F)C2=C(C=CC(=N2)NC(=O)C3=C(C=C(C=N3)C(F)(F)F)Cl)F

InChIKey: PSBBWFNMHDUTRH-DLBZAZTESA-N

InChI: 1S/C19H15ClF7N5O2/c1-16(7-34-17(2,15(28)32-16)19(25,26)27)13-10(21)3-4-11(30-13)31-14(33)12-9(20)5-8(6-29-12)18(22,23)24/h3-6H,7H2,1-2H3,(H2,28,32)(H,30,31,33)/t16-,17+/m0/s1
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BI-882370
- ≥99%
CAS号: 1392429-79-6 Compound CID : 60152613

分子式: C₂₈H₃₃F₂N₇O₂S 分子量: 569.67

IUPAC Name: N-[3-[5-[(1-ethylpiperidin-4-yl)-methylamino]-3-pyrimidin-5-ylpyrrolo[3,2-b]pyridin-1-yl]-2,4-difluorophenyl]propane-1-sulfonamide

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)N2C=C(C3=C2C=CC(=N3)N(C)C4CCN(CC4)CC)C5=CN=CN=C5)F

InChIKey: AEJACXAFHXBVHF-UHFFFAOYSA-N

InChI: 1S/C28H33F2N7O2S/c1-4-14-40(38,39)34-23-7-6-22(29)28(26(23)30)37-17-21(19-15-31-18-32-16-19)27-24(37)8-9-25(33-27)35(3)20-10-12-36(5-2)13-11-20/h6-9,15-18,20,34H,4-5,10-14H2,1-3H3
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PF-06751979
- ≥99%
CAS号: 1818339-66-0 Compound CID : 118435360

分子式: C₁₈H₁₉F₂N₅O₃S₂ 分子量: 455.50

IUPAC Name: N-[2-[(4aR,6S,8aR)-2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-(difluoromethoxy)pyridine-2-carboxamide

SMILES: CC1CC2CSC(=NC2(CO1)C3=NC(=CS3)NC(=O)C4=NC=C(C=C4)OC(F)F)N

InChIKey: ZLZUHACSRMOLLV-RAALSFIWSA-N

InChI: 1S/C18H19F2N5O3S2/c1-9-4-10-6-30-17(21)25-18(10,8-27-9)15-24-13(7-29-15)23-14(26)12-3-2-11(5-22-12)28-16(19)20/h2-3,5,7,9-10,16H,4,6,8H2,1H3,(H2,21,25)(H,23,26)/t9-,10-,18-/m0/s1
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Raf inhibitor 1
- ≥98%
CAS号: 1093100-40-3 Compound CID : 44223999

分子式: C₂₆H₁₉ClN₈ 分子量: 478.9

IUPAC Name: 1-N-(4-chlorophenyl)-6-methyl-5-N-[3-(7H-purin-6-yl)pyridin-2-yl]isoquinoline-1,5-diamine

SMILES: CC1=C(C2=C(C=C1)C(=NC=C2)NC3=CC=C(C=C3)Cl)NC4=C(C=CC=N4)C5=C6C(=NC=N5)N=CN6

InChIKey: KKVYYGGCHJGEFJ-UHFFFAOYSA-N

InChI: 1S/C26H19ClN8/c1-15-4-9-19-18(10-12-29-24(19)34-17-7-5-16(27)6-8-17)21(15)35-25-20(3-2-11-28-25)22-23-26(32-13-30-22)33-14-31-23/h2-14H,1H3,(H,28,35)(H,29,34)(H,30,31,32,33)
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BACE1-IN-1
- ≥99%
CAS号: 1310347-50-2 Compound CID : 53241828

分子式: C₁₈H₁₄F₃N₅O₂ 分子量: 389.33

IUPAC Name: N-[3-[(4R)-2-amino-5,5-difluoro-4-methyl-6H-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide

SMILES: CC1(C(COC(=N1)N)(F)F)C2=C(C=CC(=C2)NC(=O)C3=NC=C(C=C3)C#N)F

InChIKey: DVMUZHLUMHPCGZ-QGZVFWFLSA-N

InChI: 1S/C18H14F3N5O2/c1-17(18(20,21)9-28-16(23)26-17)12-6-11(3-4-13(12)19)25-15(27)14-5-2-10(7-22)8-24-14/h2-6,8H,9H2,1H3,(H2,23,26)(H,25,27)/t17-/m1/s1
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