Home Other Building Blocks BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-

BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-

CAS No.:
839706-07-9
Catalog Number:
AG00G3SD
Molecular Formula:
C28H24F3N7O2
Molecular Weight:
547.5311
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$187
- +
10mg
≥98%
1 week
United States
$300
- +
25mg
99%
1 week
United States
$557
- +
50mg
99%
1 week
United States
$957
- +
100mg
99%
1 week
United States
$1657
- +
Product Description
Catalog Number:
AG00G3SD
Chemical Name:
BenzaMide, N-[3-[1,4-dihydro-1-Methyl-7-[(6-Methyl-3-pyridinyl)aMino]-2-oxopyriMido[4,5-d]pyriMidin-3(2H)-yl]-4-Methylphenyl]-3-(trifluoroMethyl)-
CAS Number:
839706-07-9
Molecular Formula:
C28H24F3N7O2
Molecular Weight:
547.5311
MDL Number:
MFCD18251569
IUPAC Name:
N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide
InChI:
InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
InChI Key:
SZNYUUZOQHNEKB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cn1)Nc1ncc2c(n1)N(C)C(=O)N(C2)c1cc(ccc1C)NC(=O)c1cccc(c1)C(F)(F)F
Properties
Complexity:
908  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.194g/mol
Formal Charge:
0
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
547.542g/mol
Monoisotopic Mass:
547.194g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
A type-II kinase inhibitor capable of inhibiting the T315I 'gatekeeper' mutant of Bcr-Abl. Journal of medicinal chemistry 20100812
Properties