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VU0400195

CAT: 0931-T29129-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T29129-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1309434-83-0
Target
Others, GluR
Related Pathways
Others, Neuroscience
Bioactivity
VU0400195 is a oral effective, positive allosteric modulator of the metabotropic glutamate receptor 4 (mGlu (4) ) .
Smiles
O=C1[C@@]2([C@@]([C@]3(C[C@@]2(C=C3)[H])[H])(C(=O)N1C4=C(Cl)C=C(NC(=O)C5=CC=CC=N5)C=C4)[H])[H]
Molecular Formula
C21H16ClN3O3
Molecular Weight
393.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-chloro-4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]pyridine-2-carboxamide

LSM-2664 is an aromatic amide.

CAS Number1309434-83-0
PubChem CID54752951
IUPAC NameN-[3-chloro-4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]pyridine-2-carboxamide
Molecular FormulaC21H16ClN3O3
Molecular Weight393.8
XLogP2.6
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity696
SMILES
C1[C@@H]2C=C[C@H]1[C@@H]3[C@H]2C(=O)N(C3=O)C4=C(C=C(C=C4)NC(=O)C5=CC=CC=N5)Cl
InChI
InChI=1S/C21H16ClN3O3/c22-14-10-13(24-19(26)15-3-1-2-8-23-15)6-7-16(14)25-20(27)17-11-4-5-12(9-11)18(17)21(25)28/h1-8,10-12,17-18H,9H2,(H,24,26)/t11-,12+,17-,18+
InChIKey
LJUABYFUJVRUSJ-FRVJLOGJSA-N
Chemical Structure
2D Structure
2D structure of N-[3-chloro-4-[(1S,2R,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]phenyl]pyridine-2-carboxamide
CAS: 1309434-83-0
CID: 54752951
Formula: C21H16ClN3O3
MW: 393.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.8
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass393.0880191
Monoisotopic Mass393.0880191
Topological Polar Surface Area79.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity696
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5778787VU0400195

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