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MGluR2 modulator 4

CAT: 0013-GTR19187278-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19187278-02Size:50 mg
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Description
Compound 47 is a potent and selective positive allosteric modulator of mGluR2 with an EC50 of 0.8 μM. It is a valuable research tool for investigating the role of mGluR2 in neuropsychiatric disorders, supporting both in vitro mechanistic studies and in vivo models of psychosis.
CAS Number
2582758-47-0
Field of Research
Neuroscience
Smiles
C (CC1=CC=C (Br) C=C1) N2CC=3N (C=4C (N3) =CC=CC4) CC2
Molecular Formula
C18H18BrN3
Molecular Weight
356.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

mGluR2 modulator 4
CAS Number2582758-47-0
PubChem CID162657401
IUPAC Name2-[2-(4-bromophenyl)ethyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
Molecular FormulaC18H18BrN3
Molecular Weight356.3
XLogP3.7
Topological Polar Surface Area21.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count22
Formal Charge0
Complexity369
SMILES
C1CN2C(=NC3=CC=CC=C32)CN1CCC4=CC=C(C=C4)Br
InChI
InChI=1S/C18H18BrN3/c19-15-7-5-14(6-8-15)9-10-21-11-12-22-17-4-2-1-3-16(17)20-18(22)13-21/h1-8H,9-13H2
InChIKey
DFPTTYWYHUSWOX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of mGluR2 modulator 4
CAS: 2582758-47-0
CID: 162657401
Formula: C18H18BrN3
MW: 356.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.3
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass355.06841
Monoisotopic Mass355.06841
Topological Polar Surface Area21.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity369
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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