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1224887-10-8 | Benzamide, 2-[[5-chloro-2-[[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxy-
CAS No: 1224887-10-8 Catalog No: AG0017B9 MDL No:
Product Description
Catalog Number:
AG0017B9
Chemical Name:
Benzamide, 2-[[5-chloro-2-[[3-methyl-1-(1-methylethyl)-1H-pyrazol-5-yl]amino]-4-pyridinyl]amino]-N-methoxy-
CAS Number:
1224887-10-8
Molecular Formula:
C20H23ClN6O2
Molecular Weight:
414.8886
IUPAC Name:
2-[[5-chloro-2-[(5-methyl-2-propan-2-ylpyrazol-3-yl)amino]pyridin-4-yl]amino]-N-methoxybenzamide
InChI:
InChI=1S/C20H23ClN6O2/c1-12(2)27-19(9-13(3)25-27)24-18-10-17(15(21)11-22-18)23-16-8-6-5-7-14(16)20(28)26-29-4/h5-12H,1-4H3,(H,26,28)(H2,22,23,24)
InChI Key:
BVAHPPKGOOJSPU-UHFFFAOYSA-N
SMILES:
CONC(=O)c1ccccc1Nc1cc(ncc1Cl)Nc1cc(nn1C(C)C)C
UNII:
R7O0O4110G
Properties
Complexity:
539
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.157g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
414.894g/mol
Monoisotopic Mass:
414.157g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
93.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
Literature
| Title | Journal |
|---|---|
| FAK signaling in human cancer as a target for therapeutics. | Pharmacology & therapeutics 20150201 |
| A small molecule FAK kinase inhibitor, GSK2256098, inhibits growth and survival of pancreatic ductal adenocarcinoma cells. | Cell cycle (Georgetown, Tex.) 20141001 |
| Clinical importance and potential use of small molecule inhibitors of focal adhesion kinase. | Anti-cancer agents in medicinal chemistry 20110901 |
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