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Procurement and sourcing services

Here at Chemspace we understand how important for research and scientific organizations to keep their operations properly supplied and we are ready to take these responsibilities upon ourselves. Our experienced sourcing managers will help you with:

  • Management of multiple suppliers;
  • Sourcing and ordering the compounds and services;
  • Logistic and formatting support including consolidation of samples from different suppliers;
  • Spend management and data analysis;
  • Customer service support.

We will run the whole process of purchasing from the quotation stage to delivery, including resolution of any issues occurred.

 

For our customers’ convenience we offer the following programs:

Procurement and sourcing services (FTE-based):

  • Development of sourcing strategies managing multiple suppliers;
  • Selection and evaluation of suppliers and maintenance of contracts;
  • Sourcing and ordering compounds and services, order management, logistic.

 

Sourcing Building Blocks, reagents, and screening compounds (FFS-based):

  • Multiple suppliers;
  • Transparent price policy;
  • Logistics support.

 

Support of virtual screening programs:

  • Selection from a catalog of 6.5M off-the-shelf compounds from renown trusted suppliers;
  • Fast turnaround;
  • Fixed price.

 

Library design and acquisition:

  • Various chemoinformatic/molecular modeling approaches;
  • Different formatting options, quality control;
  • Hit re-supply.

Library Design

Chemspace's Delivering Discovery Solutions™  offers library design to help researchers identify new hits and improve hit rates in HTS campaigns.

We propose flexible collaboration business models tailored to meet all your needs and budget.

Delivering Discovery Solutions™ in library design has three main approaches:

  • Cheminformatics approach. We use key molecular and structural features, such as molecular weight, hydrogen bond donors/acceptors, etc., to design diversity-oriented libraries, drug-like libraries, lead-like libraries, fragment libraries, - among many others.
  • Target-based approach. With 3D structural information about a particular biological target or family of targets, we can use molecular docking to predict the binding affinity of the putative ligands. This makes the above virtual screening approach one of the most powerful techniques to “cherry-pick” the most promising compounds out of a billion-sized Chemspace catalog.
  • Ligand-based approach. When 3D structures of a particular biological target are unavailable, we can design a focused library based on the known binders. The most common methods of generating ligand-focused libraries are:
  • Search for similar chemical structures of the known active chemical scaffold
  • Using privileged structures
  • 3D ligand pharmacophore model.

 

Why choose Chemspace’s Delivering Discovery Solutions™

  • Large catalog of in-stock small molecules with a diverse offer of chemistry
  • The largest catalog of make-on-demand molecules that are indeed delivered!
  • Experienced team with access to modern software for virtual screens
  • Assistance with SAR, hit-to-lead, and lead optimization studies
  • Expertise in medicinal and organic chemistry.

 

Please contact us at info@chem-space.com for more information. Enjoy one of the best services delivered by custom synthesis companies!

Custom Synthesis

Chemspace's Delivering Discovery Solutions™ provide custom synthetic chemistry services for our customers to improve their chemistry effort. We offer flexible business models for the collaboration tailored to your needs and budget.

Delivering Discovery Solutions™ include:

  • High-quality production
  • Fast turnaround time due to the next day access to the largest building blocks collection in the world
  • Synthetic route development toward novel compounds
  • Dedicated project management by business and science professionals; project strategy development
  • Work with your molecular design or you can choose from over 100 million available tractable designs
  • Computational chemistry and CADD
  • Flexible delivery options anywhere over the world

 

Our expertise covers:

  • All possible techniques of modern organic chemistry
  • Organometallic chemistry
  • Multi-step synthesis
  • Heterocyclic chemistry
  • Chiral chemistry including separation of enantiomers and chiral purification
  • Multicomponent reactions (MCR)
  • Custom peptide synthesis including peptidomimetics with non-natural amino acids
  • Macrocyclic synthesis
  • High-Pressure reactions
  • Analytical support for synthetic work (HPLC, LCMS, multinuclear NMR and other methods)

Please contact us at info@chem-space.com for more information. Enjoy one of the best services delivered by custom synthesis companies!

Library Synthesis

Chemspace's Delivering Discovery Solutions™ provides library synthesis through our valuable chemistry partners to support drug discovery projects. We offer flexible collaboration business models to meet your requirements and fit your budget expectations.

Common library synthesis models:

  • Scaffold-based library. A scaffold provided by either Chemspace or a customer is decorated with a diverse set of building blocks.
  • Make-on-demand analogs. Compounds for a library will be selected from Enamine Real Space.
  • Custom Library. A library designed by a customer.

 

Why choose Chemspace’s Delivering Discovery Solutions™

  • Reliable chemistry partners with expertise in various types of modern chemistry
  • Parallel chemistry, over 100 transformations
  • Flask chemistry, all modern techniques and approaches
  • Access to various scaffolds and decorators (synthetic and natural products)
  • HPLC purification, purity of 90%+
  • Analytical support for synthetic work (HPLC, LC/MS, NMR, and other methods)
  • Preferred formatting and flexible delivery options.

 

Please contact us at info@chem-space.com for more information. Enjoy one of the best services delivered by custom synthesis companies!

Chemspace KNIME Node

KNIME Analytics Platform is a powerful open source tool for data mining. We have created the Chemspace node for KNIME that allow to search directly in Chemspace database (1.3 billion compounds) without using your browser.

The node allows for search in all database sections at the same time or in any of them separately.

You can embed Chemspace node into your custom in-house workflow, get the information on marketed compounds and post-process the search results in any desired way.

To use the node, you will need the Chemspace API Key that we will send via email. Contact us at info@chem-space.com to request the Key.

You can get up to 2000 results per each query performing up to 40 requests per minute.

What should be the input?

The node accepts SMILES cells (or String cells with SMILES) for Structure Search and String/numeric cells for ID Search.

What is the output?

For each query where results are found, the nodes generate output with SMILES, Chemspace IDs, and URLs.

Also there is an option to show pre-calculated PhysChem parameters for hits.

How to use the node?

Access to Chemspace database from KNIME interface is provided for free, but the API Key is needed. Please follow the instructions below to get the Key:

  1. Register on Chemspace website
  2. Email us on info@chem-space.com with Key request and provide us with your username or email used for registration
  3. Get the Key and explore the chemical universe!

Please see our presentation on Chemspace Search node to explore the features of it!

How to install Chemspace Search nodes?

  1. Launch KNIME.
  2. Open Help menu and click Install New Software.

  3. Type https://chem-space.com/knime/ into the Work with field.

  4. Tick the Chemspace KNIME nodes checkbox.

  5. Click next and follow the further instructions.
  6. For changes to take effect, you will need to restart KNIME. When the installation is complete, the application will propose you to restart it.
  7. You can find Chemspace nodes in your Node Repository after the restart

SDS Search and CoA

We prepare Safety Data Sheet files (SDS) using the data from our suppliers and from our Quality, Standardization and Certification experts. SDS files are available in 6 languages: English, French, Deutsch, Spanish, Italian, and Latvian. The files can be downloaded by specifying a structure identifier (CAS number, CS id, MFCD).

You can also download Certificates of Analysis (CoA) for the compounds you purchased from Chemspace. CoA files are provided solely by the product suppliers. A lot number is required to download CoA. At the moment, COAs are available only in English.

Regulatory information

In case of any further questions regarding product safety, contact our team.

Language

Safety Data Sheet (SDS) is a summary document, which provides information on hazards related to a certain product and advice about safety precautions to these hazards. It is manufacturer’s or supplier’s obligation to provide SDSs for each chemical product they produce or supply and to make these documents available for all downstream users online or otherwise. SDSs are important resources for workplaces and workers as they provide more detailed hazard information about chemicals than product labels. This document aims to tell about the product hazards, how to use a certain product safely, what to expect if the recommendations are not followed, how to recognize symptoms of exposure, and what to do in case of emergencies.