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GSK-F1

CAT: 0931-T19840-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T19840-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1402345-92-9
Target
PI4K
Related Pathways
PI3K/Akt/mTOR signaling
Purity
0.9703
Bioactivity
GSK-F1 (PI4KA inhibitor-F1) is a novel potent PI4KA inhibitor.
Smiles
COc1ncc(cc1S(=O)(=O)Nc1ccc(F)cc1F)-c1ccc2nc(N)n(-c3ccccc3C(F)(F)F)c(=O)c2c1
Molecular Formula
C27H18F5N5O4S
Molecular Weight
603.52
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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 Number1402345-92-9
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: 1402345-92-9
CID: 57406702
Formula: C27H18F5N5O4S
MW: 603.5
Interactive 3D Structure
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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