Computational and Medicinal Chemistry Core Facility

Getting Started

  • Purdue Users: New users: Click LOGIN and use your Purdue ID to register for an iLab account.
  • NON Purdue Users: Before you register, you must be assigned a Business Partner Number and given a PUID to register/login. Please contact Antonella Pepe at  An email will be sent to you with your PUID and instructions on how to get registered.
  • Visit the iLab Help Site or Customer Help Manual for further guidance using iLab's Core Facility Services.

Overview of Services

The Computational and Medicinal Chemistry Shared Resource (CMC-SR) was established by the Purdue University Center for Cancer Research to accelerate the development of molecular probes and small molecule therapeutics.

The CMC-SR offers services and collaboration in the following areas:
•    In silico screening of compounds libraries,
•    Advanced cheminformatics analysis on primary high-throughput screening (HTS) hit data,
•    Computational docking studies and analyses,
•    Synthesis and characterization of bioactive small molecules from milligram to gram scale,
•    Synthetic medicinal chemistry services for hit/lead optimization,
•    Structure-based drug design.


Antonella Pepe Ph.D.  
Medicinal Chemistry Director


Location and hours of operation



Center for Drug Discovery Building (DRUG)
Room 174
720 Clinic Drive, West Lafayette, IN 47907-2112


“XXXX” data were acquired by the "XXX" facility supported by P30 CA023168



 Links and Resources

  1. Our Website


Name Role Phone Email Location
Antonella Pepe Ph.D.
Medicinal Chemistry Director
Doug Cuttell
Purdue Center for Cancer Research Managing Director