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VU0361747

CAT: 0931-T29127-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29127-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1309976-66-6
Target
Others, GluR
Related Pathways
Others, Neuroscience
Bioactivity
VU0361747 is a positive allosteric modulators (PAM) of metabotropic glutamate receptor subtype 5 (mGlu5) .
Smiles
C(=O)(C=1C=CC(C#CC2=CC(F)=CC=C2)=NC1)N3CCC(O)CC3
Molecular Formula
C19H17FN2O2
Molecular Weight
324.35
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU0361747
CAS Number1309976-66-6
PubChem CID53384841
IUPAC Name[6-[2-(3-fluorophenyl)ethynyl]-3-pyridinyl]-(4-hydroxypiperidin-1-yl)methanone
Molecular FormulaC19H17FN2O2
Molecular Weight324.3
XLogP2.3
Topological Polar Surface Area53.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity504
SMILES
C1CN(CCC1O)C(=O)C2=CN=C(C=C2)C#CC3=CC(=CC=C3)F
InChI
InChI=1S/C19H17FN2O2/c20-16-3-1-2-14(12-16)4-6-17-7-5-15(13-21-17)19(24)22-10-8-18(23)9-11-22/h1-3,5,7,12-13,18,23H,8-11H2
InChIKey
ZKKOJUZGUBLAJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0361747
CAS: 1309976-66-6
CID: 53384841
Formula: C19H17FN2O2
MW: 324.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight324.3
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.12740595
Monoisotopic Mass324.12740595
Topological Polar Surface Area53.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity504
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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