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ADX 47273

CAT: 0013-GTR19161451-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19161451-02Size:500 mg
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Description
ADX-47273 is a positive allosteric modulator selective for the metabotropic glutamate receptor subtype mGluR5 (EC50=170 nM) .
CAS Number
851881-60-2
Product Name Alternative
ADX-47273 | ADX 47273 | ADX47273
Field of Research
Metabolism Research
Purity
>98% (HPLC)
Solubility
Ethanol: 30 mg/mL (81.22 mM) ; DMSO: 74 mg/mL (200.34 mM)
Smiles
O=C (C1=CC=C (F) C=C1) N2C[C@@H] (C3=NC (C4=CC=C (F) C=C4) =NO3) CCC2
Molecular Formula
C20H17F2N3O2
Molecular Weight
369.36
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
(S) - (4-fluorophenyl) (3- (3- (4-fluorophenyl) -1,2,4-oxadiazol-5-yl) piperidin-1-yl) methanone

Chemical Information

Adx 47273
CAS Number851881-60-2
PubChem CID11383075
IUPAC Name(4-fluorophenyl)-[(3S)-3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
Molecular FormulaC20H17F2N3O2
Molecular Weight369.4
XLogP3.7
Topological Polar Surface Area59.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity507
SMILES
C1C[C@@H](CN(C1)C(=O)C2=CC=C(C=C2)F)C3=NC(=NO3)C4=CC=C(C=C4)F
InChI
InChI=1S/C20H17F2N3O2/c21-16-7-3-13(4-8-16)18-23-19(27-24-18)15-2-1-11-25(12-15)20(26)14-5-9-17(22)10-6-14/h3-10,15H,1-2,11-12H2/t15-/m0/s1
InChIKey
VXQCCZHCFBHTTD-HNNXBMFYSA-N
Chemical Structure
2D Structure
2D structure of Adx 47273
CAS: 851881-60-2
CID: 11383075
Formula: C20H17F2N3O2
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass369.12888312
Monoisotopic Mass369.12888312
Topological Polar Surface Area59.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity507
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

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