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Compound 10w

CAT: 1410-M37115-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M37115-03Size:10 mg
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Description
Compound 10w, a substituted pyrazolo[1,5-a]pyrimidinamide compound, is a ZSTK474 analog that shows anticancer activity against HeLa cells.
CAS Number
1336890-05-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
462.45
Molecular Formula
C20H24F2N8O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

PI3K-IN-54
CAS Number1336890-05-1
PubChem CID56589559
IUPAC Name2-(difluoromethyl)-3-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-7-methoxybenzimidazol-5-amine
Molecular FormulaC20H24F2N8O3
Molecular Weight462.5
XLogP1.6
Topological Polar Surface Area117
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity616
SMILES
COC1=CC(=CC2=C1N=C(N2C3=NC(=NC(=N3)N4CCOCC4)N5CCOCC5)C(F)F)N
InChI
InChI=1S/C20H24F2N8O3/c1-31-14-11-12(23)10-13-15(14)24-17(16(21)22)30(13)20-26-18(28-2-6-32-7-3-28)25-19(27-20)29-4-8-33-9-5-29/h10-11,16H,2-9,23H2,1H3
InChIKey
GVCOXBXPKBZDEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PI3K-IN-54
CAS: 1336890-05-1
CID: 56589559
Formula: C20H24F2N8O3
MW: 462.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight462.5
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count5
Exact Mass462.19394298
Monoisotopic Mass462.19394298
Topological Polar Surface Area117 Ų
Heavy Atom Count33
Formal Charge0
Complexity616
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

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