Products for Research Use Only

S 14506 hydrochloride

CAT: 0013-GTR19173910-01Size: 2 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19173910-01Size:2 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
S 14506 hydrochloride
CAS Number
286369-38-8
Product Name Alternative
S14506 Hydrochloride, S-14506 Hydrochloride, S 14506 hydrochloride, S 14506 Hydrochloride, 5HTReceptor, 5HT Receptor, 5-HT1A
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.50% (May vary between batches)
Solubility
DMSO:200 mg/mL (450.51 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)
Smiles
Cl.COc1ccc2cccc (N3CCN (CCNC (=O) c4ccc (F) cc4) CC3) c2c1
Molecular Formula
C24H27ClFN3O2
Molecular Weight
443.94
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzamide, 4-fluoro-N-(2-(4-(7-methoxy-1-naphthalenyl)-1-piperazinyl)ethyl)-, hydrochloride (1:?)

4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide hydrochloride is a hydrochloride salt that is obtained by reaction of 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide with one equivalent of hydrogen chloride. 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 contains a 4-fluoro-N-{2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl}benzamide(1+).

CAS Number286369-38-8
PubChem CID131905
IUPAC Name4-fluoro-N-[2-[4-(7-methoxynaphthalen-1-yl)piperazin-1-yl]ethyl]benzamide;hydrochloride
Molecular FormulaC24H27ClFN3O2
Molecular Weight443.9
Topological Polar Surface Area44.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count31
Formal Charge0
Complexity547
SMILES
COC1=CC2=C(C=CC=C2N3CCN(CC3)CCNC(=O)C4=CC=C(C=C4)F)C=C1.Cl
InChI
InChI=1S/C24H26FN3O2.ClH/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);1H
InChIKey
HWLZKPKZVOLFGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzamide, 4-fluoro-N-(2-(4-(7-methoxy-1-naphthalenyl)-1-piperazinyl)ethyl)-, hydrochloride (1:?)
CAS: 286369-38-8
CID: 131905
Formula: C24H27ClFN3O2
MW: 443.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight443.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass443.1775830
Monoisotopic Mass443.1775830
Topological Polar Surface Area44.8 Ų
Heavy Atom Count31
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 Count2
Compound Is CanonicalizedYes