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VU0652925

CAT: 0931-T29140-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29140-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1476847-58-1
Target
Others, Protease-activated Receptor
Related Pathways
Others, GPCR/G Protein
Bioactivity
VU0652925 is a PAR4 antagonist. VU0652925 has a P-sel IC50 of 39.2 pM (-pIC50±SEM: 10.41±0.04) and a PAC1 IC50 of 43.0 pM (-pIC50±SEM: 10.4±0.04) .
Smiles
O(CC=1N=C(SC1)C2=CC=CC=C2)C3=C4C(OC(=C4)C5=CN6C(=N5)SC(OC)=N6)=CC(OC)=C3
Molecular Formula
C24H18N4O4S2
Molecular Weight
490.55
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Methoxy-6-(6-methoxy-4-((2-phenylthiazol-4-yl)methoxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CAS Number1476847-58-1
PubChem CID71769562
IUPAC Name2-methoxy-6-[6-methoxy-4-[(2-phenyl-1,3-thiazol-4-yl)methoxy]-1-benzofuran-2-yl]imidazo[2,1-b][1,3,4]thiadiazole
Molecular FormulaC24H18N4O4S2
Molecular Weight490.6
XLogP5.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity689
SMILES
COC1=CC2=C(C=C(O2)C3=CN4C(=N3)SC(=N4)OC)C(=C1)OCC5=CSC(=N5)C6=CC=CC=C6
InChI
InChI=1S/C24H18N4O4S2/c1-29-16-8-19(31-12-15-13-33-22(25-15)14-6-4-3-5-7-14)17-10-21(32-20(17)9-16)18-11-28-23(26-18)34-24(27-28)30-2/h3-11,13H,12H2,1-2H3
InChIKey
RROGCGMHOWNSLD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Methoxy-6-(6-methoxy-4-((2-phenylthiazol-4-yl)methoxy)benzofuran-2-yl)imidazo[2,1-b][1,3,4]thiadiazole
CAS: 1476847-58-1
CID: 71769562
Formula: C24H18N4O4S2
MW: 490.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass490.07694742
Monoisotopic Mass490.07694742
Topological Polar Surface Area140 Ų
Heavy Atom Count34
Formal Charge0
Complexity689
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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