Parallel Chemistry and Compound Libraries

Compound libraries for successful drug discovery projects

The quality of compound libraries and screening compounds affect the fate of a drug discovery project – Taros’ compound library designs target underpopulated druglike chemical space. High quality compound libraries requires chemical creativity and profound high throughput synthesis knowledge to achieve the highest possible molecular diversity. Our efficient production process reduces the costs per compound by utilising parallel synthesis and high throughput purification. Taros has established a highly successful and efficient compound library and parallel chemistry group as evidenced by our outstanding contribution to the European Lead Factory (ELF), for which we successfully designed, synthesized and delivered over 40,000 screening compounds from more than 100 chemical scaffolds. Moreover, in our role as an ELF executive member and head of the chemistry consortium, Taros was responsible for managing the entire chemistry consortium (7 companies and 10 academic groups throughout Europe) to develop and produce the ELF public compound collection consisting of 200.000 novel and lead-like screening compounds.

Our high throughput chemistry services include:

  • Screening libraries
  • Fragment collection
  • Focused and targeted libraries
  • Hit and SAR expansion arrays
  • Novel sp3-rich scaffolds
  • Novel screening compounds to access under-populated druglike chemical space
  • High throughput synthesis by parallel chemistry

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    Performing synthetic chemistry and medicinal chemistry to yield novel organic compounds with druglike physicochemical properties
    Medicinal Chemistry

    In Medicinal Chemistry research, we are working with a broadly experienced team on all biomolecular targets from any gene family in any therapeutic area. Our expertise ranges…

    Taros computational chemistry expertise encompasses the whole spectrum of computer-aided drug design, from virtual screening to adaptive SAR analysis as well as molecular modelling to statistical forecasting.
    Computational Chemistry

    We routinely apply computer sciences in computational chemistry approaches and apply methods for structure-based drug design, in case structural data of the target protein…

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    new druglike chemical space?

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    Research chemists in organic chemistry laboratory
    Research chemists collaborating in organic chemistry laboratory
    Research chemists evaluating results in organic chemistry laboratory

    Druglike physicochemical properties and medicinal chemistry relevance

    Taros unlocks underexplored chemical space by encoding natural product derived topology into novel scaffolds. Our library designs show a remarkably lower clogP, an increased number of chiral atoms and a significantly higher fraction of sp3-hybridised carbons (fsp3). In contrast to commercially available screening libraries, the high 3D character is engineered into the scaffolds and does not solely derive from a favourable decoration at its periphery. Involving our experienced medicinal chemists guarantees that our scaffolds are decorated with chemical building blocks that are of medicinal chemistry relevance. In addition, our scaffolds bear a high number of diversity points for systematic exploration of the chemical space around the design and hence rapid lead identification.
    • Optimal sampling of chemical space by cheminformatics
    • Creativity in the design and the reduction to practice
    • Translation of known methods to novel scaffolds
    • Development of new routes to hitherto inaccessible scaffolds
    • Wide range of reactions established for parallel synthesis
    • Awareness of possibilities AND limitations
    • Broad experience in high throughput chemistry
    • Dedicated group for parallel chemistry & compound library design
    Discovery and Optimization of synthetic routes in organic chemistry research
    synthetic organic chemistry

    Custom Synthesis

    As a leading Contract Research Organization in Europe, Taros provides valuable contract discovery for synthetic organic chemistry, chemical process development, and…

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    neuroscience within drug discovery
    therapeutic areas

    Indications and Gene Families

    We provide expertise on G-protein coupled receptors, nuclear (hormone) receptors, enzymes and transporters, ion channels, as well as protein-protein interactions and…

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    As a leading CRO in Europe, Taros provides comprehensive drug discovery chemistry services for large Pharma and Biotech corporations as well as for Research Institutes and Academia

    Our experienced chemists practice a pragmatic culture and customer-centric approach in order to exceed project expectations and, despite challenges, bridge very narrow timelines. They are trained to consider economic, safety and ecological boundaries and conditions laid out for all stages of the project.

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