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CH5132799

CAS No.:
1007207-67-1
Catalog Number:
AG0002PA
Molecular Formula:
C15H19N7O3S
Molecular Weight:
377.4215
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$357
- +
10mg
98%
1 week
United States
$523
- +
50mg
98%
1 week
United States
$1357
- +
100mg
98%
1 week
United States
$1890
- +
Product Description
Catalog Number:
AG0002PA
Chemical Name:
CH5132799
CAS Number:
1007207-67-1
Molecular Formula:
C15H19N7O3S
Molecular Weight:
377.4215
MDL Number:
MFCD22419020
IUPAC Name:
5-(7-methylsulfonyl-2-morpholin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)pyrimidin-2-amine
InChI:
InChI=1S/C15H19N7O3S/c1-26(23,24)22-3-2-11-12(10-8-17-14(16)18-9-10)19-15(20-13(11)22)21-4-6-25-7-5-21/h8-9H,2-7H2,1H3,(H2,16,17,18)
InChI Key:
JEGHXKRHKHPBJD-UHFFFAOYSA-N
SMILES:
Nc1ncc(cn1)c1nc(nc2c1CCN2S(=O)(=O)C)N1CCOCC1
UNII:
JCL936W835
Properties
Complexity:
587  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.127g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
377.423g/mol
Monoisotopic Mass:
377.127g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Literature
Title Journal
Discovery and biological activity of a novel class I PI3K inhibitor, CH5132799. Bioorganic & medicinal chemistry letters 20110315
Properties