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CCT 244747

CAS No.:
1404095-34-6
Catalog Number:
AG009CM7
Molecular Formula:
C20H24N8O2
Molecular Weight:
408.4570
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$135
- +
2mg
99%
1 week
United States
$207
- +
5mg
≥98%
1 week
United States
$290
- +
10mg
≥98%
1 week
United States
$446
- +
25mg
99%
1 week
United States
$807
- +
50mg
99%
1 week
United States
$1307
- +
Product Description
Catalog Number:
AG009CM7
Chemical Name:
CCT 244747
CAS Number:
1404095-34-6
Molecular Formula:
C20H24N8O2
Molecular Weight:
408.4570
MDL Number:
MFCD25977017
IUPAC Name:
3-[(2R)-1-(dimethylamino)propan-2-yl]oxy-5-[[4-methoxy-5-(1-methylpyrazol-4-yl)pyridin-2-yl]amino]pyrazine-2-carbonitrile
InChI:
InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1
InChI Key:
IENLGMOXAQMNEH-CYBMUJFWSA-N
SMILES:
N#Cc1ncc(nc1OC(CN(C)C)C)Nc1ncc(c(c1)OC)c1cnn(c1)C
Properties
Complexity:
584  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
408.202g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
408.466g/mol
Monoisotopic Mass:
408.202g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Literature
Title Journal
Discovery of 3-alkoxyamino-5-(pyridin-2-ylamino)pyrazine-2-carbonitriles as selective, orally bioavailable CHK1 inhibitors. Journal of medicinal chemistry 20121126
CCT244747 is a novel potent and selective CHK1 inhibitor with oral efficacy alone and in combination with genotoxic anticancer drugs. Clinical cancer research : an official journal of the American Association for Cancer Research 20121015
Properties