Abstract: Methods for calculating Log P values for organic compounds are disclosed. The methods allow identification of compounds in a library with a desired Log P value. The method can be used to minimize the number of compounds in a given combinatorial or lead generation library which need to be further characterized and/or assayed. The Log P value is preferably obtained while the purity of the compounds is being determined. Preferably, the Log P value is correlated to the retention time on an HPLC column, such that the retention time equals the Log P value.

Abstract: Devices and processes for synthesizing, purifying and analyzing large numbers of compounds for use in combinatorial libraries, are disclosed. The processes involve generating a series of compounds in multi-well plates or multi-tube racks, purifying the reaction mixtures, analyzing the purified compounds, and optionally performing bioassays on the compounds. The information regarding the compounds is stored in a central database. The devices include one or more multi-tube arrays, a purification device, means for transferring the contents of the tubes, a solvent evaporator, analytical instrumentation, and, optionally, a weighing instrument. The multi-tube array(s) optionally include a cover, which can be placed on or removed from the array by computer control. By correlating the orientation of tubes from one stage to the next, it is possible to use a single bar code or other identifying mark for each multi-tube array rather than for each individual tube.

Abstract: An HPLC method which purifies and/or characterizes large numbers of related compounds, for example, those prepared for use in combinatorial libraries, is disclosed. The compounds are purified on a semi-preparative or preparative scale, enabling rapid preparation of combinatorial libraries with minimal operator involvement, and, preferably, with a purity greater than about 90%.

Abstract: An HPLC method for purifying and/or characterizing large numbers of related compounds, for example, combinatorial and lead generation libraries, is disclosed. The compounds are purified on a semi-preparative or preparative scale without having to first remove the solvent from the vessel in which the compounds were prepared. This can be accomplished by equilibrating the HPLC column with a first mobile phase such that, when the sample is added to the column in the solvent in which it is prepared, the sample does not significantly elute off of the column in the void volume, and the solvent in which the compound is prepared does elute off of the column in the void volume or shortly thereafter. In addition, the solvent power can be adjusted such that the mobile phase is not a strong solvent for the compound of interest.