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AZD6738

CAS No.:
1352226-88-0
Catalog Number:
AG009CGY
Molecular Formula:
C20H24N6O2S
Molecular Weight:
412.5086
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$111
- +
5mg
99%
1 week
United States
$223
- +
10mg
99%
1 week
United States
$307
- +
50mg
99%
1 week
United States
$790
- +
100mg
99%
1 week
United States
$1290
- +
Product Description
Catalog Number:
AG009CGY
Chemical Name:
AZD6738
CAS Number:
1352226-88-0
Molecular Formula:
C20H24N6O2S
Molecular Weight:
412.5086
MDL Number:
MFCD29472273
IUPAC Name:
imino-methyl-[1-[6-[(3R)-3-methylmorpholin-4-yl]-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]cyclopropyl]-oxo-λ6-sulfane
InChI:
InChI=1S/C20H24N6O2S/c1-13-12-28-10-9-26(13)17-11-16(20(5-6-20)29(2,21)27)24-19(25-17)15-4-8-23-18-14(15)3-7-22-18/h3-4,7-8,11,13,21H,5-6,9-10,12H2,1-2H3,(H,22,23)/t13-,29-/m1/s1
InChI Key:
OHUHVTCQTUDPIJ-JYCIKRDWSA-N
SMILES:
C[C@@H]1COCCN1c1cc(nc(n1)c1ccnc2c1cc[nH]2)C1(CC1)S(=O)(=N)C
Properties
Complexity:
724  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
412.168g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
412.512g/mol
Monoisotopic Mass:
412.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
116A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
The orally active and bioavailable ATR kinase inhibitor AZD6738 potentiates the anti-tumor effects of cisplatin to resolve ATM-deficient non-small cell lung cancer in vivo. Oncotarget 20151229
Properties