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VU-29

CAT: 0931-T23515-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T23515-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
890764-36-0
Target
GluR
Related Pathways
Neuroscience
Purity
0.9963
Bioactivity
VU-29 is a positive allosteric mGlu5 receptor modulator with an EC50 of 9 nM and a Ki of 244 nM for rmGluR5. It is selective for mGluR5 relative to other mGluR subtypes [EC50: rmGluR1/rmGluR2=557 nM/1.5 μM; hmGluR4=154 nM].
Smiles
N(C(=O)C1=CC=C(N(=O)=O)C=C1)C=2N(N=C(C2)C3=CC=CC=C3)C4=CC=CC=C4
Molecular Formula
C22H16N4O3
Molecular Weight
384.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide

an mGluR5 positive allosteric modulator; structure in first source

CAS Number890764-36-0
PubChem CID11610682
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-4-nitrobenzamide
Molecular FormulaC22H16N4O3
Molecular Weight384.4
XLogP4.6
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity561
SMILES
C1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4
InChI
InChI=1S/C22H16N4O3/c27-22(17-11-13-19(14-12-17)26(28)29)23-21-15-20(16-7-3-1-4-8-16)24-25(21)18-9-5-2-6-10-18/h1-15H,(H,23,27)
InChIKey
KIALCSMRIHRFPL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1,3-diphenyl-1H-pyrazolo-5-yl)-4-nitrobenzamide
CAS: 890764-36-0
CID: 11610682
Formula: C22H16N4O3
MW: 384.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.4
XLogP34.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass384.12224039
Monoisotopic Mass384.12224039
Topological Polar Surface Area92.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity561
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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