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YM-31636 free base

CAT: 0931-T201587-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201587-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
159081-22-8
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
YM-31636 (free base) is an orally active, potent, and selective agonist of the 5-HT3 receptor with a pKi value of 9.67. This compound induces contraction in isolated guinea pig distal colon and provokes tachycardia in isolated guinea pig right atrium, demonstrating a relative intrinsic activity of about 0.23. YM-31636 (free base) holds potential for research in constipation management.
Smiles
N1=CNC(=C1)CC2=NC=3C=4C=CC=CC4CC3S2
Molecular Formula
C14H11N3S
Molecular Weight
253.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

8H-Indeno(1,2-d)thiazole, 2-(1H-imidazol-4-ylmethyl)-
CAS Number159081-22-8
PubChem CID9907348
IUPAC Name2-(1H-imidazol-5-ylmethyl)-4H-indeno[1,2-d][1,3]thiazole
Molecular FormulaC14H11N3S
Molecular Weight253.32
XLogP2.8
Topological Polar Surface Area69.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count18
Formal Charge0
Complexity311
SMILES
C1C2=CC=CC=C2C3=C1SC(=N3)CC4=CN=CN4
InChI
InChI=1S/C14H11N3S/c1-2-4-11-9(3-1)5-12-14(11)17-13(18-12)6-10-7-15-8-16-10/h1-4,7-8H,5-6H2,(H,15,16)
InChIKey
SWXJBBYBDXFMGG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8H-Indeno(1,2-d)thiazole, 2-(1H-imidazol-4-ylmethyl)-
CAS: 159081-22-8
CID: 9907348
Formula: C14H11N3S
MW: 253.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight253.32
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass253.06736854
Monoisotopic Mass253.06736854
Topological Polar Surface Area69.8 Ų
Heavy Atom Count18
Formal Charge0
Complexity311
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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