Physicochemical Properties
| Molecular Formula | C19H15N3O2S |
| Molecular Weight | 349.406 |
| Exact Mass | 349.088 |
| CAS # | 667910-69-2 |
| PubChem CID | 752438 |
| Appearance | Light yellow to yellow solid powder |
| LogP | 4.3 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 25 |
| Complexity | 478 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | S1C=CN2C=C(C3C=CC=C(NC(=O)C4=CC=CC=C4OC)C=3)N=C12 |
| InChi Key | BPCBHLCQTLAFBG-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C19H15N3O2S/c1-24-17-8-3-2-7-15(17)18(23)20-14-6-4-5-13(11-14)16-12-22-9-10-25-19(22)21-16/h2-12H,1H3,(H,20,23) |
| Chemical Name | N-(3-imidazo[2,1-b][1,3]thiazol-6-ylphenyl)-2-methoxybenzamide |
| 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
| References |
[1]. N-phenyl benzamide derivatives as sirtuin modulators. WO2006094236A1. |
Solubility Data
| Solubility (In Vitro) | DMSO : ≥ 100 mg/mL (~286.20 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (7.15 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 (7.15 mM) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 | 2.8620 mL | 14.3098 mL | 28.6197 mL | |
| 5 mM | 0.5724 mL | 2.8620 mL | 5.7239 mL | |
| 10 mM | 0.2862 mL | 1.4310 mL | 2.8620 mL |