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GSK 1059615

CAT: 0024-sc-361198Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-361198Size:10 mg
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CAS Number
958852-01-2

Chemical Information

Gsk-1059615

GSK1059615 is a thiazolidinone that is the 5-{[4-(pyridin-4-yl)quinolin-6-yl]methylene} derivative of 1,3-thiazolidine-2,4-dione. A PI3K inhibitor. It has a role as an antineoplastic agent and an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor. It is a member of pyridines, a member of quinolines and a thiazolidinone.

CAS Number958852-01-2
PubChem CID23582824
IUPAC Name(5Z)-5-[(4-pyridin-4-ylquinolin-6-yl)methylidene]-1,3-thiazolidine-2,4-dione
Molecular FormulaC18H11N3O2S
Molecular Weight333.4
XLogP3
Topological Polar Surface Area97.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity544
SMILES
C1=CC2=NC=CC(=C2C=C1/C=C\3/C(=O)NC(=O)S3)C4=CC=NC=C4
InChI
InChI=1S/C18H11N3O2S/c22-17-16(24-18(23)21-17)10-11-1-2-15-14(9-11)13(5-8-20-15)12-3-6-19-7-4-12/h1-10H,(H,21,22,23)/b16-10-
InChIKey
QDITZBLZQQZVEE-YBEGLDIGSA-N
Chemical Structure
2D Structure
2D structure of Gsk-1059615
CAS: 958852-01-2
CID: 23582824
Formula: C18H11N3O2S
MW: 333.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight333.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass333.05719778
Monoisotopic Mass333.05719778
Topological Polar Surface Area97.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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