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VU0424465

CAT: 0931-T29136-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29136-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1428630-85-6
Target
Others, PERK, GluR
Related Pathways
Neuroscience, Apoptosis, Others
Bioactivity
VU0424465 is a mGlu5-selective allosteric agonist.
Smiles
C(N[C@@H](C(C)(C)O)C)(=O)C1=CC=C(C#CC2=CC(F)=CC=C2)C=N1
Molecular Formula
C19H19FN2O2
Molecular Weight
326.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU0424465
CAS Number1428630-85-6
PubChem CID53384864
IUPAC Name5-[2-(3-fluorophenyl)ethynyl]-N-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyridine-2-carboxamide
Molecular FormulaC19H19FN2O2
Molecular Weight326.4
XLogP2.9
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity508
SMILES
C[C@H](C(C)(C)O)NC(=O)C1=NC=C(C=C1)C#CC2=CC(=CC=C2)F
InChI
InChI=1S/C19H19FN2O2/c1-13(19(2,3)24)22-18(23)17-10-9-15(12-21-17)8-7-14-5-4-6-16(20)11-14/h4-6,9-13,24H,1-3H3,(H,22,23)/t13-/m1/s1
InChIKey
ZPKZAFDYFVJULO-CYBMUJFWSA-N
Chemical Structure
2D Structure
2D structure of VU0424465
CAS: 1428630-85-6
CID: 53384864
Formula: C19H19FN2O2
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP32.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass326.14305602
Monoisotopic Mass326.14305602
Topological Polar Surface Area62.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity508
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
BA4411-5VU0424465

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