Physicochemical Properties
| Molecular Formula | C21H23CL2N3O3S |
| Molecular Weight | 468.4 |
| Exact Mass | 467.084 |
| CAS # | 799841-02-4 |
| PubChem CID | 11259905 |
| Appearance | White to yellow solid powder |
| LogP | 6.605 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Heavy Atom Count | 30 |
| Complexity | 688 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | ClC1=C(C=CC(=C1)CN1C(C)=NC2C=CC(C(NS(CCCCC)(=O)=O)=O)=CC1=2)Cl |
| InChi Key | QLXVZAXTUBLQJW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)16-7-9-19-20(12-16)26(14(2)24-19)13-15-6-8-17(22)18(23)11-15/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27) |
| Chemical Name | 3-[(3,4-dichlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide |
| Synonyms | FR 229934; FR229934; FR-229934 |
| 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 |
| 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
Solubility Data
| Solubility (In Vitro) | DMSO : ~100 mg/mL (~213.49 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.34 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 (5.34 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 | 2.1349 mL | 10.6746 mL | 21.3493 mL | |
| 5 mM | 0.4270 mL | 2.1349 mL | 4.2699 mL | |
| 10 mM | 0.2135 mL | 1.0675 mL | 2.1349 mL |