Physicochemical Properties
| Molecular Formula | C24H29N3O2S |
| Molecular Weight | 423.570964574814 |
| Exact Mass | 423.198 |
| CAS # | 474432-65-0 |
| PubChem CID | 9888555 |
| Appearance | White to off-white solid powder |
| LogP | 4.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 30 |
| Complexity | 541 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | KFMBPIZMZUDONQ-UHFFFAOYSA- |
| InChi Code | InChI=1S/C24H29N3O2S/c1-29-21-10-4-3-9-20(21)27-16-14-26(15-17-27)13-7-6-12-25-24(28)23-18-19-8-2-5-11-22(19)30-23/h2-5,8-11,18H,6-7,12-17H2,1H3,(H,25,28) |
| Chemical Name | N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzothiophene-2-carboxamide |
| Synonyms | FAUC346; FAUC 346; FAUC-346 |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| Targets | D3 Receptor ( EC50 = 1.5 nM ) |
| ln Vitro | FAUC 346, an in vitro D3-selective ligand, has a Ki of 0.23 nM for D3 in CHO cells [1]. FAUC346 has certain affinity for 5HT1A receptor (Ki=41 nM) and α1 receptor (Ki=15 nM) [1]. |
| References |
[1]. Synthesis and radiolabeling of N-[4-[4-(2-[11C]methoxyphenyl)piperazin-1-yl]butyl]benzo[b]thiophene-2-carboxamide -- a potential radiotracer for D3 receptor imaging with PET. Nucl Med Biol. 2006 Aug;33(6):785-95. [2]. 18F-Labeled FAUC 346 and BP 897 derivatives as subtype-selective potential PET radioligands for the dopamine D3 receptor. ChemMedChem. 2008 May;3(5):788-93. |
Solubility Data
| Solubility (In Vitro) | DMSO: ~100 mg/mL (~236.1 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.3609 mL | 11.8044 mL | 23.6088 mL | |
| 5 mM | 0.4722 mL | 2.3609 mL | 4.7218 mL | |
| 10 mM | 0.2361 mL | 1.1804 mL | 2.3609 mL |