Scientific Lead: Amadeu Llebaria
The SIMChem is a service created in 2009 to provide chemical, synthetic, and analytical support as well as biochemical-pharmacological studies for R&D&I activities in industry, universities, and public organizations.
Its objective is to bridge the gap between custom synthesis performed by companies and research groups carrying out synthesis in academia.
The service aims to provide synthetic, analytical, or biological support for research projects in chemistry, biology, biomedicine, and drug discovery, by providing qualified personnel, instrumentation, and laboratories, and leveraging the synthetic, biochemical, pharmacological, and analytical expertise of the group members.
Areas of Specialization
Contact: mcs@iqac.csic.es
At SIMChem, we offer a wide range of specialized services in chemistry, synthesis, analysis, and compound characterization, tailored to the needs of industry, universities, and public organizations. Collaboration can be formalized through R&D contracts aimed at developing knowledge and new products, or through service provision, focused on the execution of specific tasks or analyses, depending on the type and objectives of each project.
We design and synthesize specific compounds according to each client’s needs, using our own or provided synthetic routes. Each product is delivered with a comprehensive analytical report guaranteeing its identity, purity, and quality, adjusted to the requested specifications. Projects can be defined by time or objective, and results will be protected by MTA/CDA agreements or patents as convenient.
We develop and optimize new synthetic routes with industrial potential. Our team also designs analytical methods for the characterization of active principles and carries out the identification and synthesis of possible impurities derived from the main processes.
We offer consolidated expertise in the design, management, and execution of preclinical Medicinal Chemistry projects. We not only provide scientific and strategic advice on molecular design but also handle the synthesis and characterization of new structures using advanced techniques such as NMR and HPLC-MS, as well as the determination of their physical properties. This comprehensive approach allows for optimizing therapeutic efficacy, facilitating decision-making during drug formulation, and contributing to better treatment outcomes.
We develop efficient and reliable analytical methods, both as part of our projects and as an independent service for external clients. We have extensive experience in HPLC (analytical and preparative) and HPLC-MS/MS, and we have a wide variety of detectors (DAD, MS, Fluorescence) and columns (reverse phase, normal phase, HILIC mode, ion exchange, chiral, etc.), with experience in the analysis of different biological matrices (urine, plasma, brain homogenates, etc.), which allows us to adapt to each type of sample and project.
We possess consolidated expertise in the rational design and synthesis of photoactivatable compounds, including photo-reversible and photo-labile molecules. We carry out their comprehensive characterization, both photochemical and pharmacological, through functional assays, binding affinity, and pharmacodynamic studies.
We offer complementary services for quality control, isolation and purification of samples, as well as comprehensive chemical characterization, ensuring precise and reproducible results. Furthermore, we are developing new services related to biochemical and pharmacological assays, photochemical synthetic processes, and photostability studies.
Available Service Offerings
These services are aimed at providing specific technical solutions:
Consulting on Medicinal Chemistry projects (from hit finding to lead optimization).
Custom synthesis of organic compounds, with flexibility in approach, scaling, and client involvement.
Solubility determination by HPLC-DAD-MS or UV-Visible spectrophotometry.
Determination of distribution coefficients (logD/logP) and pKa by HPLC-DAD-MS.
Spectrophotometry and photoluminescence (absorbance, fluorescence, and TRF/TR-FRET).
Development and validation of specific analytical methods.
Compound analysis by HPLC-MS, with a wide variety of columns and detectors.
Moisture determination by coulometric Karl Fischer.
pH measurement and pKa determination, with microelectrode capability and constant pH reaction control.
