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HTS Compound Collection

The Life Chemicals collection of small organic molecules for high-throughput screening currently contains more than 550,000 original drug-like compounds available in stock. All products undergo rigorous quality control to guarantee their purity of over 90 %, as confirmed with 400MHz NMR and/or LCMS.

Our proprietary HTS Collection is constantly growing to add newly-synthesized structurally-diverse screening compounds that cover a broad chemical space and possess optimal physicochemical properties for medicinal chemistry and drug discovery projects. To further develop and refine it, we apply lead-oriented synthesis principles in combination with a scaffold-based approach when designing novel molecules. The main principles of the Collection formation are illustrated in Fig. 1.

Please, contact us at orders@lifechemicals.com for details, specific requirements, and price quotations.

Custom compound selection based on specific parameters can be performed on request.

To make your drug discovery campaigns even more time- and cost-efficient, take advantage of our constantly growing collection of readily available Pre-plated Screening Sets based on our best-selling Screening Compound Libraries

Available for various research needs and areas are our carefully designed Fragment Libraries and Targeted and Focused Screening Sets.

You can place an order online directly on our e-commerce website.

Life Chemicals is proud to offer not only remarkably unique products but also services of the highest standard, shortest lead time, and most customer-friendly terms.

Significantly expanding our chemical domain is the Collection of Tangible Screening Compounds, which includes over 4,700,000 virtual structures to be readily synthesized through in-house developed and validated synthetic procedures (feasibility of over 75 %). Furthermore, our R&D team can carry out pioneering custom synthesis of individual compounds and compound libraries based on the Company’s proprietary scaffold database or parameters specified by the customer. 

General preparation workflow of the Life Chemicals HTS Compound Collection

Figure 1. General preparation workflow of the Life Chemicals HTS Compound Collection.

The calculated average physicochemical values and their relative distribution are presented in Fig. 2. The HTS Compound Collection practically does not contain toxic compounds (99.65 % based on the calculated descriptor - rtvFG), as well as compounds with low water solubility (LogSw) and low Caco/MDCK cell permeability (according to the calculated data, 98.72 % compounds have high BBB-permeability (MDCK descriptor), 99.33 % compounds are adsorbed through the gastrointestinal tract (Caco descriptor).

The mean Tanimoto value of the HTS Compound Collection is 0.79 (calculated with ECFP fingerprints). Extended-Connectivity Fingerprints (ECFPs) were calculated for all molecules in the Library (radius = 3, size of bitvector = 2048). Dissimilarity was calculated by the Tanimoto method for all combinations of molecules. Diversity was calculated as the average value of all dissimilarities.

A significant part of the screening compounds from our primary compound collection also belong to one or more of the proprietary Targeted and Focused Screening Libraries carefully designed by the Life Chemicals cheminformatics team using various modern Computational Chemistry approaches. The compound distribution between the main types of screening compound libraries is shown in Fig. 3.

In the end, several representative examples of final compounds and their correlation with the in-house premium scaffolds through different intermediate Building Blocks can be found in Fig. 4.

It should be noted that Life Chemicals products and services have always been distinguished by their state-of-the-art standards and professionally recognized qualities to create the most beneficial outsourcing opportunities for your R&D projects.

The Company’s strongest points are well presented under the Key Features and Benefits, including the complete list of Early Drug Discovery Services available.

Our best R & D solutions are designed for you and around you!

Figure 2. Physicochemical value distributions of the HTS Compound Collection.

Figure 2. Physicochemical value distributions of the HTS Compound Collection.

Figure 3. Distribution of compounds between different types of Targeted and Focused Screening Libraries.

Figure 3. Distribution of compounds between different types of Targeted and Focused Screening Libraries.

Figure 4. Examples of compounds related to the corresponding initial scaffolds and building blocks.

Figure 4. Examples of compounds related to the corresponding initial scaffolds and building blocks.

Selected representative compounds from the Life Chemicals HTS Compound Collection:

Examples of best-selling compounds from the Life Chemicals Collections:

Screening Compounds

Building Blocks

Selected representative compounds from the Life Chemicals HTS Compound Collection:

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