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SIB-1553A hydrochloride

CAT: 0931-T16881-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T16881-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
191611-89-9
Target
AChR
Related Pathways
Neuroscience
Purity
0.9973
Bioactivity
SIB-1553A hydrochloride is an orally available, selective nicotinic acetylcholine receptor agonist and a selective neuronal nAChR ligand.SIB-1553A hydrochloride enhances cognition and may be useful in the study of Alzheimer's disease and cognitive impairment.
Smiles
Cl.CN1CCCC1CCSc1ccc(O)cc1
Molecular Formula
C13H20ClNOS
Molecular Weight
273.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sib 1553A
CAS Number191611-89-9
PubChem CID9881989
IUPAC Name4-[2-(1-methylpyrrolidin-2-yl)ethylsulfanyl]phenol;hydrochloride
Molecular FormulaC13H20ClNOS
Molecular Weight273.82
Topological Polar Surface Area48.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count17
Formal Charge0
Complexity204
SMILES
CN1CCCC1CCSC2=CC=C(C=C2)O.Cl
InChI
InChI=1S/C13H19NOS.ClH/c1-14-9-2-3-11(14)8-10-16-13-6-4-12(15)5-7-13;/h4-7,11,15H,2-3,8-10H2,1H3;1H
InChIKey
RJSVKPQKXSMZMT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sib 1553A
CAS: 191611-89-9
CID: 9881989
Formula: C13H20ClNOS
MW: 273.82
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight273.82
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass273.0954131
Monoisotopic Mass273.0954131
Topological Polar Surface Area48.8 Ų
Heavy Atom Count17
Formal Charge0
Complexity204
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes