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PI3Kγ inhibitor 1

CAT: 1410-M10575-01Size: 1 EachDry Ice: NoHazardous: No
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Description
A potent PI3Kγ inhibitor.
CAS Number
1172118-03-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
586.6663
Molecular Formula
C32H26N8O2S
Notes
Research use only, not for human use.
Receptor
PI3K

Chemical Information

PI3Kgamma inhibitor 1
CAS Number1172118-03-4
PubChem CID44123663
IUPAC NameN-[6-[4-amino-1-[[8-methyl-2-(2-methylphenyl)-1-oxoisoquinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide
Molecular FormulaC32H26N8O2S
Molecular Weight586.7
XLogP5
Topological Polar Surface Area160
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count43
Formal Charge0
Complexity1090
SMILES
CC1=C2C(=CC=C1)C=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC7=C(C=C6)N=C(S7)NC(=O)C)N
InChI
InChI=1S/C32H26N8O2S/c1-17-7-4-5-10-24(17)40-22(13-20-9-6-8-18(2)26(20)31(40)42)15-39-30-27(29(33)34-16-35-30)28(38-39)21-11-12-23-25(14-21)43-32(37-23)36-19(3)41/h4-14,16H,15H2,1-3H3,(H2,33,34,35)(H,36,37,41)
InChIKey
UHZBJJRBPXOONG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI3Kgamma inhibitor 1
CAS: 1172118-03-4
CID: 44123663
Formula: C32H26N8O2S
MW: 586.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight586.7
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass586.18994328
Monoisotopic Mass586.18994328
Topological Polar Surface Area160 Ų
Heavy Atom Count43
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes