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S 15931

CAT: 0013-GTR19210024-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210024-02Size:50 mg
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Description
S 15931 is a selective serotonin receptor modulator that acts as an antagonist at postsynaptic 5-HT1A receptors while functioning as an agonist at presynaptic 5-HT1A autoreceptors. This dual activity makes it a valuable pharmacological tool for studying 5-HT1A receptor function in both in vitro binding assays and in vivo behavioral models of anxiety and depression.
CAS Number
153607-45-5
Smiles
C (CC1C=2C (CC1) =CC=CC2) N3CCN (C4=C5C (=CC=C4) OCCO5) CC3
Molecular Formula
C23H28N2O2
Molecular Weight
364.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

S 15931

structure given in first source; antagonizes postsynaptic 5-HT(1A) receptors; agonist for 5-HT(1A) autoreceptors

CAS Number153607-45-5
PubChem CID182596
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[2-(2,3-dihydro-1H-inden-1-yl)ethyl]piperazine
Molecular FormulaC23H28N2O2
Molecular Weight364.5
XLogP4.3
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity479
SMILES
C1CC2=CC=CC=C2C1CCN3CCN(CC3)C4=C5C(=CC=C4)OCCO5
InChI
InChI=1S/C23H28N2O2/c1-2-5-20-18(4-1)8-9-19(20)10-11-24-12-14-25(15-13-24)21-6-3-7-22-23(21)27-17-16-26-22/h1-7,19H,8-17H2
InChIKey
OARKPUCUFAIZCW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S 15931
CAS: 153607-45-5
CID: 182596
Formula: C23H28N2O2
MW: 364.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight364.5
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass364.215078140
Monoisotopic Mass364.215078140
Topological Polar Surface Area24.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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