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Home Aminos 4-Chloromethyl-n-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide

4-Chloromethyl-n-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide

CAS No.:
404844-11-7
Catalog Number:
AG00C9C5
Molecular Formula:
C24H20ClN5O
Molecular Weight:
429.9015
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
In Stock USA
United States
$137
- +
250mg
97%
In Stock USA
United States
$225
- +
1g
97%
In Stock USA
United States
$563
- +
5g
97%
In Stock USA
United States
$1688
- +
Product Description
Catalog Number:
AG00C9C5
Chemical Name:
4-Chloromethyl-n-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide
CAS Number:
404844-11-7
Molecular Formula:
C24H20ClN5O
Molecular Weight:
429.9015
MDL Number:
MFCD09841001
IUPAC Name:
4-(chloromethyl)-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
InChI:
InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)
InChI Key:
WUGWDFMSJPJUEZ-UHFFFAOYSA-N
SMILES:
ClCc1ccc(cc1)C(=O)Nc1ccc(c(c1)Nc1nccc(n1)c1cccnc1)C
Properties
Complexity:
570  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.136g/mol
Formal Charge:
0
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
429.908g/mol
Monoisotopic Mass:
429.136g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Determination of imatinib mesylate and related compounds by field amplified sample stacking with large volume sample injection capillary electrophoresis. Journal of pharmaceutical and biomedical analysis 20121101
Nonaqueous capillary electrophoresis of imatinib mesylate and related substances. Journal of separation science 20120801
Cysteine mapping in conformationally distinct kinase nucleotide binding sites: application to the design of selective covalent inhibitors. Journal of medicinal chemistry 20110310
Properties