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VU6010572

CAT: 0013-GTR19187495-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187495-01Size:25 mg
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Description
VU6010572 is a potent and selective negative allosteric modulator of the mGlu3 receptor with an IC50 of 245 nM. Its high CNS penetrance makes it a valuable research tool for investigating the role of mGlu3 in neurological and psychiatric disorders in both in vitro and in vivo models.
CAS Number
2126784-39-0
Field of Research
Neuroscience
Smiles
O=C1N (C=CC (OC[C@@H] (OC2=CC=CC=C2) C) =C1) C3=CC=C (F) C=C3
Molecular Formula
C20H18FNO3
Molecular Weight
339.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(4-Fluorophenyl)-4-[(2S)-2-phenoxypropoxy]-2(1H)-pyridinone
CAS Number2126784-39-0
PubChem CID145949267
IUPAC Name1-(4-fluorophenyl)-4-[(2S)-2-phenoxypropoxy]pyridin-2-one
Molecular FormulaC20H18FNO3
Molecular Weight339.4
XLogP3.8
Topological Polar Surface Area38.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity505
SMILES
C[C@@H](COC1=CC(=O)N(C=C1)C2=CC=C(C=C2)F)OC3=CC=CC=C3
InChI
InChI=1S/C20H18FNO3/c1-15(25-18-5-3-2-4-6-18)14-24-19-11-12-22(20(23)13-19)17-9-7-16(21)8-10-17/h2-13,15H,14H2,1H3/t15-/m0/s1
InChIKey
AUMJXOXUSGIUCB-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Fluorophenyl)-4-[(2S)-2-phenoxypropoxy]-2(1H)-pyridinone
CAS: 2126784-39-0
CID: 145949267
Formula: C20H18FNO3
MW: 339.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight339.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass339.12707160
Monoisotopic Mass339.12707160
Topological Polar Surface Area38.8 Ų
Heavy Atom Count25
Formal Charge0
Complexity505
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-122138-01VU6010572

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