Physicochemical Properties
| Molecular Formula | C15H16N2OS2 |
| Molecular Weight | 304.430340766907 |
| Exact Mass | 304.07 |
| CAS # | 686770-80-9 |
| PubChem CID | 2052828 |
| Appearance | White to yellow solid powder |
| LogP | 3.382 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Heavy Atom Count | 20 |
| Complexity | 453 |
| Defined Atom Stereocenter Count | 0 |
| InChi Key | YHNDCCKFNWDQGW-UHFFFAOYSA-N |
| InChi Code | InChI=1S/C15H16N2OS2/c1-2-9-20-15-16-12-8-10-19-13(12)14(18)17(15)11-6-4-3-5-7-11/h3-7H,2,8-10H2,1H3 |
| Chemical Name | 3-phenyl-2-propylsulfanyl-6,7-dihydrothieno[3,2-d]pyrimidin-4-one |
| 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: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture. |
| 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
| ln Vitro | H295R-initiated cells have higher cAMP levels when exposed to BC11-38 (20 μM; hr) [1]. |
| References |
[1]. Identification of biologically active PDE11-selective inhibitors using a yeast-based high-throughput screen. Chem Biol. 2012;19(1):155-163. |
Solubility Data
| Solubility (In Vitro) | DMSO : ~33.33 mg/mL (~109.48 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (8.21 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 | 3.2848 mL | 16.4241 mL | 32.8483 mL | |
| 5 mM | 0.6570 mL | 3.2848 mL | 6.5697 mL | |
| 10 mM | 0.3285 mL | 1.6424 mL | 3.2848 mL |