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ML 254

CAT: 1410-M23588-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1410-M23588-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML254 competitively interacts with the MPEP allosteric binding site. ML254 is highly selective for mGlu5 versus other mGlu receptors, has a clean ancillary Ricerca profile, and suitable dystrophia myotonica protein kinase (DMPK) properties for systemic dosing in rodents.
CAS Number
1428630-86-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
310.32
Molecular Formula
C18H15FN2O2
Notes
Research use only, not for human use.
Receptor
MGluR5

Chemical Information

5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide

an mGlu5 modulator; structure in first source

CAS Number1428630-86-7
PubChem CID53382545
IUPAC Name5-[2-(3-fluorophenyl)ethynyl]-N-(3-methyloxetan-3-yl)pyridine-2-carboxamide
Molecular FormulaC18H15FN2O2
Molecular Weight310.3
XLogP2.5
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity506
SMILES
CC1(COC1)NC(=O)C2=NC=C(C=C2)C#CC3=CC(=CC=C3)F
InChI
InChI=1S/C18H15FN2O2/c1-18(11-23-12-18)21-17(22)16-8-7-14(10-20-16)6-5-13-3-2-4-15(19)9-13/h2-4,7-10H,11-12H2,1H3,(H,21,22)
InChIKey
YMYCVXPMSMNWEP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-((3-fluorophenyl)ethynyl)-N-(3-methyloxetan-3-yl)picolinamide
CAS: 1428630-86-7
CID: 53382545
Formula: C18H15FN2O2
MW: 310.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.3
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass310.11175589
Monoisotopic Mass310.11175589
Topological Polar Surface Area51.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity506
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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