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ML-354

CAT: 1410-M33770-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M33770-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML354 is a selective antagonist of PAR4 with an IC50 of 140 nM .
CAS Number
89159-60-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
282.29
Molecular Formula
C16H14N2O3
Notes
Research use only, not for human use.
Receptor
Others

Chemical Information

ML354
CAS Number89159-60-4
PubChem CID752812
IUPAC Name(1-methyl-5-nitro-3-phenylindol-2-yl)methanol
Molecular FormulaC16H14N2O3
Molecular Weight282.29
XLogP2.6
Topological Polar Surface Area71
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity378
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1CO)C3=CC=CC=C3
InChI
InChI=1S/C16H14N2O3/c1-17-14-8-7-12(18(20)21)9-13(14)16(15(17)10-19)11-5-3-2-4-6-11/h2-9,19H,10H2,1H3
InChIKey
GNJUKVGDCUKDLF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML354
CAS: 89159-60-4
CID: 752812
Formula: C16H14N2O3
MW: 282.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.29
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass282.10044231
Monoisotopic Mass282.10044231
Topological Polar Surface Area71 Ų
Heavy Atom Count21
Formal Charge0
Complexity378
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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