Products for Research Use Only
RegisterLogin

Vadaclidine

CAT: 0013-GTR19209126-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19209126-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Vadaclidine is an orally bioavailable, small molecule agonist of muscarinic acetylcholine receptors with antinociceptive properties. It is utilized in preclinical research to investigate cholinergic pathways in pain management, with applications in both in vitro binding assays and in vivo models of nociception.
CAS Number
141575-50-0
Smiles
S (CCCC) C=1C ([C@H]2C3CCN (C2) CC3) =NSN1
Molecular Formula
C13H21N3S2
Molecular Weight
283.46
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Vedaclidine

structure given in first source

CAS Number141575-50-0
PubChem CID9889093
IUPAC Name3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-4-butylsulfanyl-1,2,5-thiadiazole
Molecular FormulaC13H21N3S2
Molecular Weight283.5
XLogP3.1
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity269
SMILES
CCCCSC1=NSN=C1[C@@H]2CN3CCC2CC3
InChI
InChI=1S/C13H21N3S2/c1-2-3-8-17-13-12(14-18-15-13)11-9-16-6-4-10(11)5-7-16/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKey
WZZPXVURFDJHGI-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Vedaclidine
CAS: 141575-50-0
CID: 9889093
Formula: C13H21N3S2
MW: 283.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight283.5
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass283.11769003
Monoisotopic Mass283.11769003
Topological Polar Surface Area82.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity269
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T70728-01Vadaclidine

Popular Products