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S 14506 HCl

CAT: 0931-T28637-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T28637-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135722-25-7
Target
5-HT Receptor, Others
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
S 14506 HCl is a highly potent selective 5-HT1A receptor full agonist, pKi values are 9.0, 6.6, 7.5, 6.6 and < 6.0 for 5-HT1A, 5-HT1B, 5-HT1C, 5-HT2 and 5-HT3 receptors respectively.
Smiles
O(C)C1=CC=2C(=CC=CC2C=C1)N3CCN(CCNC(=O)C4=CC=C(F)C=C4)CC3
Molecular Formula
C24H26FN3O2
Molecular Weight
407.48
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide

4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide is a benzamide obtained by formal condensation of the carboxy group of 4-fluorobenzoic acid with the primary amino group of 2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethylamine. Highly potent selective 5-HT1A receptor full agonist (pKi values are 9.0, 6.6, 7.5, 6.6 and < 6.0 for 5-HT1A, 5-HT1B, 5-HT1C, 5-HT2 and 5-HT3 receptors respectively). Possibly binds between the agonist binding site and the G protein interaction switch site, affecting the activation mechanism, and may display positive cooperativity. Anxiolytic following central administration in vivo. It has a role as an anxiolytic drug and a serotonergic agonist. It is a member of benzamides, an organofluorine compound, a N-alkylpiperazine, a N-arylpiperazine and a methoxynaphthalene. It is a conjugate base of a 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide(1+).

CAS Number135722-25-7
PubChem CID131906
IUPAC Name4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
Molecular FormulaC24H26FN3O2
Molecular Weight407.5
XLogP4.2
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity547
SMILES
COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1
InChI
InChI=1S/C24H26FN3O2/c1-30-21-10-7-18-3-2-4-23(22(18)17-21)28-15-13-27(14-16-28)12-11-26-24(29)19-5-8-20(25)9-6-19/h2-10,17H,11-16H2,1H3,(H,26,29)
InChIKey
IFMQODYDAUKKEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide
CAS: 135722-25-7
CID: 131906
Formula: C24H26FN3O2
MW: 407.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight407.5
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass407.20090524
Monoisotopic Mass407.20090524
Topological Polar Surface Area44.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity547
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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Alternative Products

CatalogName
464914-01S 14506
HY-110024AS-14506
MBS3616282-01S 14506 hydrochloride
GTR19197301-01S 14506 HCl
HY-110024-01S-14506 (hydrochloride)

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