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(3S) -GSK-F1

CAT: 1410-M36017-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M36017-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(3S) -GSK-F1 is a selective small molecule inhibitor of Type III Phosphatidylinositol 4‑Kinase Alpha (PI4KIIIα), pIC50=8.3.
CAS Number
1384097-27-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
603.52
Molecular Formula
C27H18F5N5O4S
Notes
Research use only, not for human use.
Receptor
PI4K

Chemical Information

5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-6-yl)-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CAS Number1384097-27-1
PubChem CID57406702
IUPAC Name5-[2-amino-4-oxo-3-[2-(trifluoromethyl)phenyl]quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
Molecular FormulaC27H18F5N5O4S
Molecular Weight603.5
XLogP4.3
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count42
Formal Charge0
Complexity1120
SMILES
COC1=C(C=C(C=N1)C2=CC3=C(C=C2)N=C(N(C3=O)C4=CC=CC=C4C(F)(F)F)N)S(=O)(=O)NC5=C(C=C(C=C5)F)F
InChI
InChI=1S/C27H18F5N5O4S/c1-41-24-23(42(39,40)36-21-9-7-16(28)12-19(21)29)11-15(13-34-24)14-6-8-20-17(10-14)25(38)37(26(33)35-20)22-5-3-2-4-18(22)27(30,31)32/h2-13,36H,1H3,(H2,33,35)
InChIKey
MSRFVAYVUUHQCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(2-amino-4-oxo-3-(2-(trifluoromethyl)phenyl)-3,4-dihydroquinazolin-6-yl)-N-(2,4-difluorophenyl)-2-methoxypyridine-3-sulfonamide
CAS: 1384097-27-1
CID: 57406702
Formula: C27H18F5N5O4S
MW: 603.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight603.5
XLogP34.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass603.09996606
Monoisotopic Mass603.09996606
Topological Polar Surface Area135 Ų
Heavy Atom Count42
Formal Charge0
Complexity1120
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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