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MGluR2 modulator 6

CAT: 0931-T212440-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T212440-01Size:10 mg
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CAS Number
1127498-73-0
Target
GluR
Related Pathways
Neuroscience
Bioactivity
MGluR2 modulator6 (Compound 25-a) acts as an mGluR2 modulator demonstrating anticonvulsant activity in the 6Hz epilepsy model, with enhanced effects when used in combination with Levetiracetam. This compound is valuable for epilepsy research.
Smiles
O=C1C(Cl)=C(C=CN1CCCC)N2CCC(C3=CC=C(F)C=C3F)CC2
Molecular Formula
C20H23ClF2N2O
Molecular Weight
380.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-Butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one
CAS Number1127498-73-0
PubChem CID89716358
IUPAC Name1-butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one
Molecular FormulaC20H23ClF2N2O
Molecular Weight380.9
XLogP4.8
Topological Polar Surface Area23.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity572
SMILES
CCCCN1C=CC(=C(C1=O)Cl)N2CCC(CC2)C3=C(C=C(C=C3)F)F
InChI
InChI=1S/C20H23ClF2N2O/c1-2-3-9-25-12-8-18(19(21)20(25)26)24-10-6-14(7-11-24)16-5-4-15(22)13-17(16)23/h4-5,8,12-14H,2-3,6-7,9-11H2,1H3
InChIKey
NRAWDTUBYOBTQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Butyl-3-chloro-4-[4-(2,4-difluorophenyl)piperidin-1-yl]pyridin-2-one
CAS: 1127498-73-0
CID: 89716358
Formula: C20H23ClF2N2O
MW: 380.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight380.9
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass380.1466974
Monoisotopic Mass380.1466974
Topological Polar Surface Area23.6 Ų
Heavy Atom Count26
Formal Charge0
Complexity572
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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