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DDR Inhibitor

CAS No.:
1644069-80-6
Catalog Number:
AG01EO7R
Molecular Formula:
C23H20FN5O2
Molecular Weight:
417.4356
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
97%
1 week
United States
$1098
- +
10mg
97%
1 week
United States
$1793
- +
Product Description
Catalog Number:
AG01EO7R
Chemical Name:
DDR Inhibitor
CAS Number:
1644069-80-6
Molecular Formula:
C23H20FN5O2
Molecular Weight:
417.4356
MDL Number:
MFCD31567545
IUPAC Name:
N-[5-[[(3-fluorophenyl)carbamoylamino]methyl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
InChI:
InChI=1S/C23H20FN5O2/c1-15-8-9-16(13-26-23(31)27-18-6-4-5-17(24)12-18)11-19(15)28-22(30)20-14-25-21-7-2-3-10-29(20)21/h2-12,14H,13H2,1H3,(H,28,30)(H2,26,27,31)
InChI Key:
ZPVUIOVIUFJGHO-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)F)NCc1ccc(c(c1)NC(=O)c1cnc2n1cccc2)C
Properties
Complexity:
635  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.16g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
417.444g/mol
Monoisotopic Mass:
417.16g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Literature
Title Journal
Fragment-Based Discovery of Potent and Selective DDR1/2 Inhibitors. ACS medicinal chemistry letters 20150709
Properties