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VU0364289

CAT: 0931-T29128-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29128-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1242443-29-3
Target
Others, GluR
Related Pathways
Others, Neuroscience
Bioactivity
VU0364289 is a positive allosteric modulator of mGlu5.
Smiles
O=C(COCc1ccccc1)N1CCN(CC1)c1ccccc1C#N
Molecular Formula
C20H21N3O2
Molecular Weight
335.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

VU0364289
CAS Number1242443-29-3
PubChem CID46865097
IUPAC Name2-[4-(2-phenylmethoxyacetyl)piperazin-1-yl]benzonitrile
Molecular FormulaC20H21N3O2
Molecular Weight335.4
XLogP2.4
Topological Polar Surface Area56.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity473
SMILES
C1CN(CCN1C2=CC=CC=C2C#N)C(=O)COCC3=CC=CC=C3
InChI
InChI=1S/C20H21N3O2/c21-14-18-8-4-5-9-19(18)22-10-12-23(13-11-22)20(24)16-25-15-17-6-2-1-3-7-17/h1-9H,10-13,15-16H2
InChIKey
LTPGKAICNBCBPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of VU0364289
CAS: 1242443-29-3
CID: 46865097
Formula: C20H21N3O2
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass335.16337692
Monoisotopic Mass335.16337692
Topological Polar Surface Area56.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity473
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

Related Products

CatalogName
T78161-01VU0364739

Alternative Products

CatalogName
BA5600-25VU0364289
A15832-50VU0364289 50mg
A15832-10VU0364289 10mg
A15832-100VU0364289 100mg
A15832-25VU0364289 25mg
A15832-5VU0364289 5mg
A15832-2VU0364289 2mg

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