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TCS 46b

CAT: 0013-GTR19173861-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173861-04Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TCS 46b is an orally bioavailable small molecule antagonist selectively targeting NR1A/NR2B-containing NMDA receptors. It is utilized in neuroscience research to investigate receptor function and has been applied in both in vitro binding assays and in vivo studies exploring neurological pathways and conditions.
CAS Number
302799-86-6
Product Name Alternative
NR2B-NMDA, NR1A-NMDA, TCS 46b
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.00% (May vary between batches)
Solubility
Ethanol:< 34.54 mg/mL; DMSO:55 mg/mL (159.22 mM)
Smiles
C (#CCN1CCC (CC2=CC=CC=C2) CC1) C=3C=C4C (=CC3) NC (=O) N4
Molecular Formula
C22H23N3O
Molecular Weight
345.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-(3-(4-Benzylpiperidin-1-yl)prop-1-ynyl)-1,3-dihydrobenzimidazol-2-one

structure in first source

CAS Number302799-86-6
PubChem CID9863010
IUPAC Name5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-1,3-dihydrobenzimidazol-2-one
Molecular FormulaC22H23N3O
Molecular Weight345.4
XLogP3.5
Topological Polar Surface Area44.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity548
SMILES
C1CN(CCC1CC2=CC=CC=C2)CC#CC3=CC4=C(C=C3)NC(=O)N4
InChI
InChI=1S/C22H23N3O/c26-22-23-20-9-8-18(16-21(20)24-22)7-4-12-25-13-10-19(11-14-25)15-17-5-2-1-3-6-17/h1-3,5-6,8-9,16,19H,10-15H2,(H2,23,24,26)
InChIKey
JJEXWPHPFZLTCU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-(3-(4-Benzylpiperidin-1-yl)prop-1-ynyl)-1,3-dihydrobenzimidazol-2-one
CAS: 302799-86-6
CID: 9863010
Formula: C22H23N3O
MW: 345.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight345.4
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass345.184112366
Monoisotopic Mass345.184112366
Topological Polar Surface Area44.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity548
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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