配体家族 - 小分子和化合物库

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尼泊金甲酯
- ≥99%
CAS号: 99-76-3 EC号: 243-171-5

分子式: C₈H₈O₃ 分子量: 152.15

IUPAC Name: methyl 4-hydroxybenzoate

SMILES: COC(=O)C1=CC=C(C=C1)O

InChIKey: LXCFILQKKLGQFO-UHFFFAOYSA-N

InChI: 1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3
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法舒地尔
- ≥98%(HPLC)
CAS号: 103745-39-7

分子式: C₁₄H₁₇N₃O₂S 分子量: 291.37

IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline

SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChIKey: NGOGFTYYXHNFQH-UHFFFAOYSA-N

InChI: 1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2
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(±)-舒必利
- ≥98%(HPLC)
CAS号: 15676-16-1

分子式: C₁₅H₂₃N₃O₄S 分子量: 341.43

IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide

SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

InChIKey: BGRJTUBHPOOWDU-UHFFFAOYSA-N

InChI: 1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)
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唑尼沙胺
- ≥98%
CAS号: 68291-97-4 Compound CID : 5734

分子式: C₈H₈N₂O₃S 分子量: 212.22

IUPAC Name: 1,2-benzoxazol-3-ylmethanesulfonamide

SMILES: C1=CC=C2C(=C1)C(=NO2)CS(=O)(=O)N

InChIKey: UBQNRHZMVUUOMG-UHFFFAOYSA-N

InChI: 1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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Indisulam,分子胶
- ≥99%
CAS号: 165668-41-7

分子式: C₁₄H₁₂ClN₃O₄S₂ 分子量: 385.85

IUPAC Name: 4-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonamide

SMILES: C1=CC2=C(C(=C1)NS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N)NC=C2Cl

InChIKey: SETFNECMODOHTO-UHFFFAOYSA-N

InChI: 1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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S4,的CA IX和CA XII抑制剂
- ≥99%(HPLC)
CAS号: 1330061-67-0 Compound CID : 53342705

分子式: C₁₅H₁₇N₃O₄S 分子量: 335.38

IUPAC Name: [4-[(3,5-dimethylphenyl)carbamoylamino]phenyl] sulfamate

SMILES: CC1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)OS(=O)(=O)N)C

InChIKey: HGVHSNXRZYOTPD-UHFFFAOYSA-N

InChI: 1S/C15H17N3O4S/c1-10-7-11(2)9-13(8-10)18-15(19)17-12-3-5-14(6-4-12)22-23(16,20)21/h3-9H,1-2H3,(H2,16,20,21)(H2,17,18,19)
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GSK 269962,ROCK抑制剂
- ≥98%
CAS号: 850664-21-0

分子式: C₂₉H₃₀N₈O₅ 分子量: 570.6

IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChIKey: YOVNFNXUCOWYSG-UHFFFAOYSA-N

InChI: 1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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GSK 269962
- 10mM in DMSO
CAS号: 850664-21-0

分子式: C₂₉H₃₀N₈O₅ 分子量: 570.6

IUPAC Name: N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-morpholin-4-ylethoxy)benzamide

SMILES: CCN1C2=CC(=NC=C2N=C1C3=NON=C3N)OC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)OCCN6CCOCC6

InChIKey: YOVNFNXUCOWYSG-UHFFFAOYSA-N

InChI: 1S/C29H30N8O5/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-42-34-26)41-22-5-3-4-20(16-22)32-29(38)19-6-8-21(9-7-19)40-15-12-36-10-13-39-14-11-36/h3-9,16-18H,2,10-15H2,1H3,(H2,30,35)(H,32,38)
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SAR407899
- 10mM in DMSO
CAS号: 923359-38-0 Compound CID : 15604510

分子式: C₁₄H₁₆N₂O₂ 分子量: 244.29
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ROCK inhibitor-2
- 10mM in DMSO
CAS号: 1127308-52-4 Compound CID : 51003130

分子式: C₂₁H₂₀N₂O₂ 分子量: 332.40
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HSD1590
- 10mM in DMSO
CAS号: 2379279-96-4 Compound CID : 139030519

分子式: C₂₀H₁₈BN₃O₃ 分子量: 359.19
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ROCK inhibitor-2
- ≥99%
CAS号: 1127308-52-4 Compound CID : 51003130

分子式: C₂₁H₂₀N₂O₂ 分子量: 332.40

IUPAC Name: N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide

SMILES: CC(C1=CC(=CC=C1)OC)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChIKey: JRVSFZKYQCETAH-OAHLLOKOSA-N

InChI: 1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1
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