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CBiPES

CAT: 0931-T86014-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T86014-01Size:10 mg
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CAS Number
353235-01-5
Target
GluR
Related Pathways
Neuroscience
Bioactivity
CBiPES, a potent mGlu2 positive allosteric modulator with an EC50 value of 92.8 nM, attenuates stress-induced hyperthermia and Phencyclidine-induced hyperlocomotor activity, and can be used for research of neurological diseases [1] [2].
Smiles
N(CC=1C=CC=NC1)(S(CC)(=O)=O)C2=CC(=CC=C2)C3=CC=C(C#N)C=C3
Molecular Formula
C21H19N3O2S
Molecular Weight
377.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cbipes
CAS Number353235-01-5
PubChem CID9864510
IUPAC NameN-[3-(4-cyanophenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
Molecular FormulaC21H19N3O2S
Molecular Weight377.5
XLogP3.2
Topological Polar Surface Area82.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity613
SMILES
CCS(=O)(=O)N(CC1=CN=CC=C1)C2=CC=CC(=C2)C3=CC=C(C=C3)C#N
InChI
InChI=1S/C21H19N3O2S/c1-2-27(25,26)24(16-18-5-4-12-23-15-18)21-7-3-6-20(13-21)19-10-8-17(14-22)9-11-19/h3-13,15H,2,16H2,1H3
InChIKey
HDVYXILCBYGKGU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cbipes
CAS: 353235-01-5
CID: 9864510
Formula: C21H19N3O2S
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass377.11979803
Monoisotopic Mass377.11979803
Topological Polar Surface Area82.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity613
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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