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GK470

CAT: 0931-T24089-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T24089-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1621517-53-0
Target
Phospholipase, Others
Related Pathways
Others, Metabolism
Bioactivity
GK470 is a group IVA cytosolic phospholipase A2 inhibitor.
Smiles
C(COC1=CC=C(CCCCCCCC)C=C1)(=O)C2=NC(C(OC)=O)=CS2
Molecular Formula
C21H27NO4S
Molecular Weight
389.51
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-(2-(4-octylphenoxy)acetyl)thiazole-4-carboxylate
CAS Number1621517-53-0
PubChem CID76955631
IUPAC Namemethyl 2-[2-(4-octylphenoxy)acetyl]-1,3-thiazole-4-carboxylate
Molecular FormulaC21H27NO4S
Molecular Weight389.5
XLogP6.9
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count27
Formal Charge0
Complexity451
SMILES
CCCCCCCCC1=CC=C(C=C1)OCC(=O)C2=NC(=CS2)C(=O)OC
InChI
InChI=1S/C21H27NO4S/c1-3-4-5-6-7-8-9-16-10-12-17(13-11-16)26-14-19(23)20-22-18(15-27-20)21(24)25-2/h10-13,15H,3-9,14H2,1-2H3
InChIKey
OUBSYDDAZYCDGZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(2-(4-octylphenoxy)acetyl)thiazole-4-carboxylate
CAS: 1621517-53-0
CID: 76955631
Formula: C21H27NO4S
MW: 389.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.5
XLogP36.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass389.16607952
Monoisotopic Mass389.16607952
Topological Polar Surface Area93.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity451
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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