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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I288657-5mg | 5mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $66.90 | |
I288657-10mg | 10mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $101.90 | |
I288657-25mg | 25mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $228.90 | |
I288657-50mg | 50mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $433.90 | |
I288657-100mg | 100mg | Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience! | $779.90 |
Selective 5-HT1Aagonist
Synonyms | CCG-220609 | HMS3414N19 | 1,1-Dioxo-2-[4-(4-pyrimidin-2-yl-piperazin-1-yl)-butyl]-1,2-dihydro-1lambda*6*-benzo[d]isothiazol-3-one | BCP14089 | HMS3268M06 | 2-(4-(4-(2-PYRIMIDINYL)-1-PIPERAZINYL)BUTYL)-1,2-BENZISOTHIAZOLIN-3-ONE 1,1-DIOXIDE | 2-(4-(4-(Pyri |
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Specifications & Purity | Moligand™, ≥98% |
Biochemical and Physiological Mechanisms | Selective 5-HT1Areceptor agonist (Ki= 10 nM). Anxiolyticin vivo. |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Grade | Moligand™ |
Action Type | AGONIST |
Mechanism of action | Agonist of 5-HT 1A receptor |
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IUPAC Name | 1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one |
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INCHI | InChI=1S/C19H23N5O3S/c25-18-16-6-1-2-7-17(16)28(26,27)24(18)11-4-3-10-22-12-14-23(15-13-22)19-20-8-5-9-21-19/h1-2,5-9H,3-4,10-15H2 |
InChi Key | TZJUVVIWVWFLCD-UHFFFAOYSA-N |
Canonical SMILES | C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4 |
Isomeric SMILES | C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=NC=CC=N4 |
PubChem CID | 56971 |
Molecular Weight | 401.48 |
Find and download the COA for your product by matching the lot number on the packaging.
Lot Number | Certificate Type | Date | Item |
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Certificate of Analysis | Oct 31, 2022 | I288657 | |
Certificate of Analysis | Oct 31, 2022 | I288657 | |
Certificate of Analysis | Oct 31, 2022 | I288657 | |
Certificate of Analysis | Oct 31, 2022 | I288657 | |
Certificate of Analysis | Oct 31, 2022 | I288657 |
Solubility | Solvent:DMSO, Max Conc. mg/mL: 4.01, Max Conc. mM: 10 |
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Molecular Weight | 401.500 g/mol |
XLogP3 | 1.500 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 7 |
Rotatable Bond Count | 6 |
Exact Mass | 401.152 Da |
Monoisotopic Mass | 401.152 Da |
Topological Polar Surface Area | 95.100 Ų |
Heavy Atom Count | 28 |
Formal Charge | 0 |
Complexity | 638.000 |
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 |