LifeCheMyriads Space: Billions of Ready-to-synthesize Molecules for Breakthrough Drug Discovery

Life Chemicals, in collaboration with Alipheron, proudly presents LifeCheMyriads Space: a unique source of synthetically obtainable compounds designed to bridge the gap between virtual molecules and on-demand synthesis.

While more than 53 billion compounds are already available, new molecules are continuously being added with a strong focus on structural diversity and drug-like properties. Our scientists have created this Ultra-Large Combinatorial Library to empower researchers with the most favorable way to identify the right molecule, also providing flexible search modes and seamless ordering options. Thus, the unmatched speed and precision of this search tool, backed by our verified synthetic practices, is sure to give an unprecedented impetus to drug discovery, lead expansion and optimization.

What is LifeCheMyriads Space?

LifeCheMyriads is a proprietary virtual compound space built on over 210 in-house validated chemical reactions and more than 20,000 curated building blocks, derived from:

  • in-stock fine chemicals and intermediates
  • high-quality reagents from verified suppliers

Our team has developed a dedicated SMARTS-pattern system and custom scripts to:

  • automatically select building blocks for specific reactions
  • transform them into synthon vectors for further expansion
  • create a dynamically expanding combinatorial space of over 340 million unique scaffolds

The resulting chemical space with direct access to 53 B compounds can be explored in seconds by means of Alipheron’s Hyperspace™ Search Engine, which uses advanced algorithms to match molecular structures with precision and speed.

Key Features and Benefits

  • More than 53 billion ready-to-be-synthesized compounds
    One of the world’s largest proprietary virtual compound libraries based exclusively on in-house validated chemistry
  • Synthetically feasible and MedChem-relevant compounds
    Obtained through tried-and-true reactions using certified reagents that ensure practical medicinal chemistry workflows
  • Direct ultra-fast search on the Life Chemicals website
    Leveraging Alipheron’s Hyperspace engine, billions of chemical structures searched in virtually no time:
    • 2D substructure search with optional atom/bond query features, such as aromaticity, ring membership, number of hydrogens attached to the atom, excluding groups, etc.
    • Similarity search with adjustable thresholds (0.00–1.00) to retrieve molecules with matched or closely related frameworks
    • Exact match (via similarity = 1.00)
    • Limited scaffold hopping with flexible bond ranges
  • Advanced search tools available directly via DataWarrior PlugIns
    • Pharos-3D: unique 3D similarity and pharmacophore-based search which enables efficient screening of our 53 B synthetically feasible compounds to identify molecules that mimic the shape and binding profile of a reference compound (bioactive conformer) for hit expansion, scaffold hopping and lead optimization
    • Hyperspace Search: ultra-fast substructure and similarity search based on 2D pharmacophore descriptors
  • On-demand synthesis
    Prompt synthesis of compounds selected and expert backup
  • End-to-end support
    Recognized expertise and efficient assistance in cheminformatics, hit re-supply and scale-up. CRO services through every project stage. Optimal prices and convenient supply terms

Ordering compounds

Quick and easy steps:

  • Send your inquiry using our website search and cart or email the compound list to orders@lifechemicals.com and get detailed information.
  • Optionally, compounds can be selected directly in the DataWarrior built-in plugin for Life Chemicals, with the list of structures exported and emailed to the above address
  • Receive a formal quotation with synthesis timelines and costs
  • Place a purchase order upon agreeing all relevant details
  • Compounds can be supplied as dry powder or DMSO solution
  • Complete analytical data are provided upon delivery

Designed for:

  • Medicinal chemists: seeking chemical diversity for lead-oriented libraries, hit-to-lead and lead optimization projects
  • Computational chemists: to provide their access to billions of structure-searchable molecules for virtual screening
  • Synthetic chemists: to identify novel reagents and precursors for photoredox, click chemistry, C–C and C–N couplings and more
  • Pharma and biotech R&D: to facilitate identifying novel chemical compounds in unexplored chemical space and expanding drug development pipelines

Probe Diverse Chemical Classes

Our virtual compound collection spans a wide range of chemical entities, including:

  • Amines, carboxylic acids, alcohols, halides
  • Heterocycles, piperazine analogs, sulfonamides
  • Spiro compounds, bioisosteres, macrocycles, and more

Every compound is selected for its synthetic relevance and potential biological activity. This outstanding diversity ensures comprehensive coverage across a wide range of research objectives, from fragment-based drug design to targeted library expansion.

Enjoy the next-generation virtual screening, powered by high-speed search and expert chemistry!

 

Start Exploring LifeCheMyriads

The fastest way to achieve your goal!

 

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  Contact us at orders@lifechemicals.com

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