Name: Name:[2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone
Brand: AABLOCKS
SKU: AA01ENKH
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA01ENKH

Chemical Name: [2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone

CAS Number: 1443118-44-2

Molecular Formula: C21H20FNO3

Molecular Weight: 353.3868

MDL Number: MFCD27937770

SMILES: COc1ccc(cc1)C#Cc1ccc(c(c1)F)C(=O)N1CCC[C@H](C1)O

Properties

Complexity: 546

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 26

Hydrogen Bond Acceptor Count: 4

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.3

Literature fold

Title: Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl) (3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM).

Journal: Journal of medicinal chemistry20130627

Title: Wenthur CJ, et, al. Discovery of (R)-(2-fluoro-4-((-4-methoxyphenyl)ethynyl)phenyl) (3-hydroxypiperidin-1-yl)methanone (ML337), an mGlu3 selective and CNS penetrant negative allosteric modulator (NAM). J Med Chem. 2013 Jun 27; 56(12): 5208-12.

1443118-44-2 | [2-Fluoro-4-[2-(4-methoxyphenyl)ethynyl]phenyl][(3R)-3-hydroxy-1-piperidinyl]methanone