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VU0652925

CAT: 0013-GTR19196169-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196169-01Size:25 mg
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Description
VU0652925 is a potent and selective PAR4 antagonist, exhibiting sub-nanomolar IC50 values of 39.2 pM and 43.0 pM against P-selectin and PAC1, respectively. This small molecule is a valuable research tool for investigating PAR4-mediated platelet function and thrombosis in both in vitro and in vivo experimental models.
CAS Number
1476847-58-1
Field of Research
Pharmacology & Drug Discovery
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
Storage Conditions
-20°C
Notes
For research use only.

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
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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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