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AZ 628

CAS No.:
878739-06-1
Catalog Number:
AG00GU14
Molecular Formula:
C27H25N5O2
Molecular Weight:
451.5197
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
99%(HPLC)
In Stock USA
United States
$54
- +
5mg
99%(HPLC)
In Stock USA
United States
$123
- +
10mg
99%(HPLC)
In Stock USA
United States
$203
- +
25mg
99%(HPLC)
In Stock USA
United States
$386
- +
Product Description
Catalog Number:
AG00GU14
Chemical Name:
AZ 628
CAS Number:
878739-06-1
Molecular Formula:
C27H25N5O2
Molecular Weight:
451.5197
MDL Number:
MFCD17392577
IUPAC Name:
3-(2-cyanopropan-2-yl)-N-[4-methyl-3-[(3-methyl-4-oxoquinazolin-6-yl)amino]phenyl]benzamide
InChI:
InChI=1S/C27H25N5O2/c1-17-8-9-21(31-25(33)18-6-5-7-19(12-18)27(2,3)15-28)14-24(17)30-20-10-11-23-22(13-20)26(34)32(4)16-29-23/h5-14,16,30H,1-4H3,(H,31,33)
InChI Key:
ZGBGPEDJXCYQPH-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)C(=O)Nc1ccc(c(c1)Nc1ccc2c(c1)c(=O)n(cn2)C)C)(C)C
UNII:
560S6B5D79
Properties
Complexity:
845  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.201g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
451.53g/mol
Monoisotopic Mass:
451.201g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2  
Literature
Title Journal
Highly potent and selective 3-N-methylquinazoline-4(3H)-one based inhibitors of B-Raf(V600E) kinase. Bioorganic & medicinal chemistry letters 20140415
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
Selective Raf inhibition in cancer therapy. Expert opinion on therapeutic targets 20071201
Properties