Determine the necessary mass, volume, or concentration for preparing a solution.
Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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V124992-2mg | 2mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $59.90 | |
V124992-10mg | 10mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $234.90 | |
V124992-50mg | 50mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $391.90 |
Synonyms | 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)-1-benzofuran-2-carboxamide | EMD 515259 | 2,5-bis(p-aminophenyl)-1,3,4-oxadiazole | NCGC00371130-06 | VILAZODONE [VANDF] | EINECS 219-401-9 | N06AX24 | SGEGOXDYSFKCPT-UHFFFAOYSA-N | NCGC00371130-03 | VI |
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Specifications & Purity | Moligand™, ≥98% |
Biochemical and Physiological Mechanisms | Vilazodone (EMD 68843; SB 659746A; 5-{4-[4-(5-cyano-3-indolyl)-butyl]-1-piperazinyl}-benzofuran-2-carboxamide hydrochloride) is a combined serotonin specific reuptake inhibitor (SSRI) and 5-HT1A receptor partial agonist currently under clinical evaluation |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Grade | Moligand™ |
Action Type | AGONIST, INHIBITOR |
Mechanism of action | Agonist of 5-HT 1A receptor;Agonist of 5-HT 4 receptor;Agonist of D 2 receptor;Agonist of D 3 receptor;Agonist of H 1 receptor;Inhibitor of SERT |
Product Description | Vilazodone is an inhibitor of ST (serotonin transporter and uptake) (IC50 = 0.5 nM) and SR-1A activator (partial agonist) (IC50 = 0.2 nM; IA = ~60-70%). |
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Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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IUPAC Name | 5-[4-[4-(5-cyano-1H-indol-3-yl)butyl]piperazin-1-yl]-1-benzofuran-2-carboxamide |
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INCHI | InChI=1S/C26H27N5O2/c27-16-18-4-6-23-22(13-18)19(17-29-23)3-1-2-8-30-9-11-31(12-10-30)21-5-7-24-20(14-21)15-25(33-24)26(28)32/h4-7,13-15,17,29H,1-3,8-12H2,(H2,28,32) |
InChi Key | SGEGOXDYSFKCPT-UHFFFAOYSA-N |
Canonical SMILES | C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N |
Isomeric SMILES | C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N |
PubChem CID | 6918314 |
Molecular Weight | 441.52 |
Solubility | DMSO |
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Molecular Weight | 441.500 g/mol |
XLogP3 | 4.000 |
Hydrogen Bond Donor Count | 2 |
Hydrogen Bond Acceptor Count | 5 |
Rotatable Bond Count | 7 |
Exact Mass | 441.216 Da |
Monoisotopic Mass | 441.216 Da |
Topological Polar Surface Area | 102.000 Ų |
Heavy Atom Count | 33 |
Formal Charge | 0 |
Complexity | 729.000 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
The total count of all stereochemical bonds | 0 |
Covalently-Bonded Unit Count | 1 |
1. Dawson LA, Watson JM. (2009) Vilazodone: a 5-HT1A receptor agonist/serotonin transporter inhibitor for the treatment of affective disorders.. CNS Neurosci Ther, 15 (2): (107-17). [PMID:19499624] [10.1021/op500134e] |
2. Heinrich T, Böttcher H, Gericke R, Bartoszyk GD, Anzali S, Seyfried CA, Greiner HE, Van Amsterdam C. (2004) Synthesis and structure--activity relationship in a class of indolebutylpiperazines as dual 5-HT(1A) receptor agonists and serotonin reuptake inhibitors.. J Med Chem, 47 (19): (4684-92). [PMID:15341484] [10.1021/op500134e] |
3. Hughes ZA, Starr KR, Langmead CJ, Hill M, Bartoszyk GD, Hagan JJ, Middlemiss DN, Dawson LA. (2005) Neurochemical evaluation of the novel 5-HT1A receptor partial agonist/serotonin reuptake inhibitor, vilazodone.. Eur J Pharmacol, 510 (1-2): (49-57). [PMID:15740724] [10.1021/op500134e] |
4. Zhu XY, Etukala JR, Eyunni SV, Setola V, Roth BL, Ablordeppey SY. (2012) Benzothiazoles as probes for the 5HT1A receptor and the serotonin transporter (SERT): a search for new dual-acting agents as potential antidepressants.. Eur J Med Chem, 53 (13): (124-32). [PMID:22520153] [10.1021/op500134e] |