Solubility Facts
  • 283 compounds 
  • Compound List
  • Thermodynamic assay
  • Simulated gastric and intestinal fluid
  • pH 1.5, 5.0, 6.5, 7.0, 7.5
  • N=3

Solubility


Method

The goal was to measure equilibrium solubility of test compounds in 5 different pH values under thermodynamic conditions. 

  • Solubility: up to 10 mg/ml 
  • Buffers: Simulated gastric (no pepsin,  pH = 1.5 ± 0.05) and intestinal fluid (no pancreatin, 50 mM potassium phosphate buffer pH 5.0, pH 6.5, pH 7.0, pH 7.5 (± 0.05))
  • Incubation at 37°C (rotation) for 4 hours 
  • Filtration using syringe and filter 
  • Analysis: UV-plate reader, LC-UV, or LC-MS 
  • Output: solubility (mg/ml)
  • Amount required: Approximately 750 mg  (N=3 for each of 5 pH’s) 
  • Throughput: 1 compound/ 1 FTE/ day 

 

Compound Diversity

For a series of plots to show the diversity of the solubility training set compounds click here

 

Reference Material

Check the downloads page for additional reference material