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GSK2636771 methyl

CAT: 0013-GTR19237986-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237986-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GSK2636771 is a selective PI3Kβ inhibitor used in cancer research. It has been investigated in vitro and in vivo, including in prostate cancer models, where it is studied in combination with agents like the CYP17A1 inhibitor VT-464 to overcome resistance mechanisms.
CAS Number
1372540-24-3
Smiles
O=C (OC) C1=CC (=CC2=C1N=C (N2CC3=CC=CC (=C3C) C (F) (F) F) C) N4CCOCC4
Molecular Formula
C23H24F3N3O3
Molecular Weight
447.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

methyl 2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylate
CAS Number1372540-24-3
PubChem CID56959828
IUPAC Namemethyl 2-methyl-1-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylbenzimidazole-4-carboxylate
Molecular FormulaC23H24F3N3O3
Molecular Weight447.4
XLogP4.3
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity658
SMILES
CC1=C(C=CC=C1C(F)(F)F)CN2C(=NC3=C(C=C(C=C32)N4CCOCC4)C(=O)OC)C
InChI
InChI=1S/C23H24F3N3O3/c1-14-16(5-4-6-19(14)23(24,25)26)13-29-15(2)27-21-18(22(30)31-3)11-17(12-20(21)29)28-7-9-32-10-8-28/h4-6,11-12H,7-10,13H2,1-3H3
InChIKey
MUCIJRUEFHGVSI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of methyl 2-methyl-1-{[2-methyl-3-(trifluoromethyl)phenyl]methyl}-6-(4-morpholinyl)-1H-benzimidazole-4-carboxylate
CAS: 1372540-24-3
CID: 56959828
Formula: C23H24F3N3O3
MW: 447.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.4
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass447.17697612
Monoisotopic Mass447.17697612
Topological Polar Surface Area56.6 Ų
Heavy Atom Count32
Formal Charge0
Complexity658
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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