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VU0483605

CAT: 0931-T21747-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T21747-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1623101-11-0
Target
GluR
Related Pathways
Neuroscience
Purity
0.9961
Bioactivity
VU0483605 is an effective and selective positive allosteric modulator of mGluR1 with EC50s of 390 and 356 nM for human and rat, respectively.
Smiles
Clc1cccc2C(=O)N(C(=O)c12)c1ccc(NC(=O)c2ncccc2Cl)cc1Cl
Molecular Formula
C20H10Cl3N3O3
Molecular Weight
446.67
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Chloro-N-(3-chloro-4-(4-chloro-1,3-dioxoisoindolin-2-yl)phenyl)picolinamide
CAS Number1623101-11-0
PubChem CID91885483
IUPAC Name3-chloro-N-[3-chloro-4-(4-chloro-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
Molecular FormulaC20H10Cl3N3O3
Molecular Weight446.7
XLogP4.4
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity679
SMILES
C1=CC2=C(C(=C1)Cl)C(=O)N(C2=O)C3=C(C=C(C=C3)NC(=O)C4=C(C=CC=N4)Cl)Cl
InChI
InChI=1S/C20H10Cl3N3O3/c21-12-4-1-3-11-16(12)20(29)26(19(11)28)15-7-6-10(9-14(15)23)25-18(27)17-13(22)5-2-8-24-17/h1-9H,(H,25,27)
InChIKey
HJQXPBKPTGWZCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Chloro-N-(3-chloro-4-(4-chloro-1,3-dioxoisoindolin-2-yl)phenyl)picolinamide
CAS: 1623101-11-0
CID: 91885483
Formula: C20H10Cl3N3O3
MW: 446.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.7
XLogP34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass444.978774
Monoisotopic Mass444.978774
Topological Polar Surface Area79.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity679
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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CatalogName
C5611-10VU0483605

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