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VU0404251

CAT: 0931-T29130-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29130-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1276013-77-4
Target
Others, GluR
Related Pathways
Neuroscience, Others
Bioactivity
VU0404251 is a positive allosteric modulator of mGlu5.
Smiles
C(N[C@@H](C(C)(C)C)C)(=O)C=1C=CC(OCC2=CC(F)=CC=C2)=NC1
Molecular Formula
C19H23FN2O2
Molecular Weight
330.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU0404251
CAS Number1276013-77-4
PubChem CID58368068
IUPAC NameN-[(2R)-3,3-dimethylbutan-2-yl]-6-[(3-fluorophenyl)methoxy]pyridine-3-carboxamide
Molecular FormulaC19H23FN2O2
Molecular Weight330.4
XLogP4.2
Topological Polar Surface Area51.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity411
SMILES
C[C@H](C(C)(C)C)NC(=O)C1=CN=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
InChIKey
VOYBJCDMLJODRK-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of VU0404251
CAS: 1276013-77-4
CID: 58368068
Formula: C19H23FN2O2
MW: 330.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.4
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass330.17435614
Monoisotopic Mass330.17435614
Topological Polar Surface Area51.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity411
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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