title: Synthesis and diversity analysis of lead discovery piperazine-2-carboxamide libraries.
abstract: A Lead Discovery Library of piperazine-2-carboxamide derivatives was produced for general screening. This paper discloses two novel solid phase synthetic routes used to produce 15,000 single compounds via the Irori directed sorting technique. Computational methods such as reagent clustering and library profiling were used to maximize reagent diversity and optimize pharmacokinetic parameters. The results of a four center pharmacophore analysis revealed the added diversity gained by using two independent synthetic routes.
authors.affiliation: Rhone-Poulenc Rorer Research and Development, Collegeville, PA 19426, USA. timothy.herpin@bms.com
authors.forename: T F
authors.initials: TF
authors.lastname: Herpin
authors.forename: G C
authors.initials: GC
authors.lastname: Morton
authors.forename: A K
authors.initials: AK
authors.lastname: Dunn
authors.forename: C
authors.initials: C
authors.lastname: Fillon
authors.forename: P R
authors.initials: PR
authors.lastname: Menard
authors.forename: S Y
authors.initials: SY
authors.lastname: Tang
authors.forename: J M
authors.initials: JM
authors.lastname: Salvino
authors.forename: R F
authors.initials: RF
authors.lastname: Labaudinière
mesh_terms: D020650:Combinatorial Chemistry Techniques; D010879:Piperazines / Q000138:chemical synthesis*
chemical_list: D010879:Piperazines