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ML351

CAT: 0957-S3387-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S3387-25mgSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
847163-28-4
Target
Lipoxygenase
Applications
Metabolism
Smiles
CNC1=C (N=C (O1) C2=CC=CC3=CC=CC=C23) C#N
Molecular Formula
C15H11N3O
Additionnal Information
ML351 is a selective inhibitor of 15-Lipoxygenase-1 (15-LOX-1 or 12/15-LOX) with IC50 of 200 nM.
Storage Conditions
3 years -20°C powder

Chemical Information

5-(Methylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CAS Number847163-28-4
PubChem CID664510
IUPAC Name5-(methylamino)-2-naphthalen-1-yl-1,3-oxazole-4-carbonitrile
Molecular FormulaC15H11N3O
Molecular Weight249.27
XLogP4.2
Topological Polar Surface Area61.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity364
SMILES
CNC1=C(N=C(O1)C2=CC=CC3=CC=CC=C32)C#N
InChI
InChI=1S/C15H11N3O/c1-17-15-13(9-16)18-14(19-15)12-8-4-6-10-5-2-3-7-11(10)12/h2-8,17H,1H3
InChIKey
DYXYXTDIFMDJIR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(Methylamino)-2-(naphthalen-1-yl)-1,3-oxazole-4-carbonitrile
CAS: 847163-28-4
CID: 664510
Formula: C15H11N3O
MW: 249.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight249.27
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass249.090211983
Monoisotopic Mass249.090211983
Topological Polar Surface Area61.9 Ų
Heavy Atom Count19
Formal Charge0
Complexity364
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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CatalogName
MBS3614450-01ML351

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