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ML 161

CAT: 0013-GTR19162236-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19162236-01Size:200 mg
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Description
Inhibitor of protease-activated receptor 1 (PAR1) -mediated platelet activation (IC50 = 0.26 μM for the inhibition of platelet P-selectin expression on human platelets) . Thought to act allosterically. Also inhibits thrombin-induced platelet activation.
CAS Number
423735-93-7
Product Name Alternative
AG-670 | CID-1048267
Purity
>98% (HPLC)
Solubility
DMSO: 72 mg/mL (199.31 mM)
Smiles
O=C (NC1=CC=CC (NC (CCC) =O) =C1) C2=CC=CC=C2Br
Molecular Formula
C17H17BrN2O2
Molecular Weight
361.23
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-bromo-N-[3-[ (1-oxobutyl) amino]phenyl]-benzamide

Chemical Information

2-bromo-N-(3-butyramidophenyl)benzamide

2-bromo-N-[3-(1-oxobutylamino)phenyl]benzamide is a member of benzamides.

CAS Number423735-93-7
PubChem CID1048267
IUPAC Name2-bromo-N-[3-(butanoylamino)phenyl]benzamide
Molecular FormulaC17H17BrN2O2
Molecular Weight361.2
XLogP3.5
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity389
SMILES
CCCC(=O)NC1=CC(=CC=C1)NC(=O)C2=CC=CC=C2Br
InChI
InChI=1S/C17H17BrN2O2/c1-2-6-16(21)19-12-7-5-8-13(11-12)20-17(22)14-9-3-4-10-15(14)18/h3-5,7-11H,2,6H2,1H3,(H,19,21)(H,20,22)
InChIKey
DFOVLSMXPWPCFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-bromo-N-(3-butyramidophenyl)benzamide
CAS: 423735-93-7
CID: 1048267
Formula: C17H17BrN2O2
MW: 361.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.2
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass360.04734
Monoisotopic Mass360.04734
Topological Polar Surface Area58.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity389
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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