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BMS-986120 100mg

CAT: 0628-A12169-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A12169-100Size:100 mg
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CAS Number
1478712-37-6

Chemical Information

Bms-986120

a highly selective and reversible oral PAR4 (protease-activated receptor 4) antagonist; inhibits platelet aggregation

CAS Number1478712-37-6
PubChem CID72190270
IUPAC Name4-[4-[[6-methoxy-2-(2-methoxyimidazo[2,1-b][1,3,4]thiadiazol-6-yl)-1-benzofuran-4-yl]oxymethyl]-5-methyl-1,3-thiazol-2-yl]morpholine
Molecular FormulaC23H23N5O5S2
Molecular Weight513.6
XLogP4.2
Topological Polar Surface Area153
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity724
SMILES
CC1=C(N=C(S1)N2CCOCC2)COC3=CC(=CC4=C3C=C(O4)C5=CN6C(=N5)SC(=N6)OC)OC
InChI
InChI=1S/C23H23N5O5S2/c1-13-17(25-21(34-13)27-4-6-31-7-5-27)12-32-18-8-14(29-2)9-19-15(18)10-20(33-19)16-11-28-22(24-16)35-23(26-28)30-3/h8-11H,4-7,12H2,1-3H3
InChIKey
MINMDCMSHDBHKG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bms-986120
CAS: 1478712-37-6
CID: 72190270
Formula: C23H23N5O5S2
MW: 513.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.6
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass513.11406120
Monoisotopic Mass513.11406120
Topological Polar Surface Area153 Ų
Heavy Atom Count35
Formal Charge0
Complexity724
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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