Physicochemical Properties
| Molecular Formula | C22H23N3O4S2 |
| Molecular Weight | 457.57 |
| Exact Mass | 457.112 |
| CAS # | 1008671-38-2 |
| PubChem CID | 4880560 |
| Appearance | Typically exists as solid at room temperature |
| Flash Point | 312.4±37.0 °C(Predicted) |
| LogP | 3.9 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 6 |
| Heavy Atom Count | 31 |
| Complexity | 700 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | N1(S(C2=CC=CC=C2)(=O)=O)CCCCC1C(NC1=NC(C2=CC=C(OC)C=C2)=CS1)=O |
| InChi Key | UUTYPVHYRISWDI-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C22H23N3O4S2/c1-29-17-12-10-16(11-13-17)19-15-30-22(23-19)24-21(26)20-9-5-6-14-25(20)31(27,28)18-7-3-2-4-8-18/h2-4,7-8,10-13,15,20H,5-6,9,14H2,1H3,(H,23,24,26) |
| Chemical Name | 1-(benzenesulfonyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]piperidine-2-carboxamide |
| 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 : ~250 mg/mL (~546.36 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.55 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 20.8 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 | 2.1855 mL | 10.9273 mL | 21.8546 mL | |
| 5 mM | 0.4371 mL | 2.1855 mL | 4.3709 mL | |
| 10 mM | 0.2185 mL | 1.0927 mL | 2.1855 mL |