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Download our Compound Sourcing User Guide

High quality database, advanced compound selection, automated price optimization and professional delivery service. Search, find and order compounds from the highest quality database of purchasable compounds. We deliver them as a single package. Our unique Instant Quote feature generates price and delivery time quotes on-the-fly. Our price optimization algorithm can dramatically decrease the prices by finding the optimal suppliers for your compounds.


DOWNLOAD DATABASE: The Mcule database can be downloaded in SDF format including Mcule IDs and 2D structures from HERE. It can be processed in-house and you can come back with the Mcule IDs of the best hits to place an order HERE.

The Mcule database contains high quality molecule collections. All of them passed our in-house developed registration system: MAC (Mcule Advanced Curation).

The major part of the database consists of commercially available compounds (Purchasable compounds), that can serve as an input collection for virtual screening. Users can also upload their own molecule collections.

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Stock availability information for over 90% of the products in the Mcule database is updated instantly, daily or weekly. We have built direct connections to the inventories of most major suppliers, which enables our users to search for real, in-stock compounds.


Mcule's Smart Compound Selection technique offers basic and advanced selection tools integrated with the Mcule database.

FIND CHEMICALS (Basic searching)

Our extremely fast and easy-to-use web interface helps to quickly find purchasable chemicals in the high quality Mcule database. You can run similarity, substructure and exact searches with a single or multiple queries. Queries can be specified either by drawing or by providing a chemical identifier such as mcule ID, SMILES, InChI or InChIKey. You can start browsing the results immediately and order the best hit(s) by just a few clicks.

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WORKFLOW BUILDER (Advanced searching)

The Workflow Builder can be used to filter the Mcule database by product properties (purity, available amount, price, etc.), eliminate unwanted structures (SMARTS rules, physicochemical property filter) and apply large-scale diversity selection to maximize chemical space coverage. Additionally users can run structure- and ligand-based virtual screens to identify novel hits.

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The Mcule database contains over 5 million unique Purchasable compounds. All these compounds can be purchased by just a few clicks.


You can ask for a price and delivery time quote for single compounds and molecule collections by clicking on the orange “QUOTE” buttons. You only need to fill out the Quote form and you will be able to choose between Instant Quote and/or Next-Day Quote.


Instant Quote is a fully automated, customizable, online solution for screening compound selection, quote calculation, ordering and shipment tracking. It eliminates unnecessary e-mail communications. It utilizes our unique algorithm which calculates the best price and fastest delivery quotes by comparing and optimizing compound prices, supplier discounts, small order fees, delivery costs, customs duties and reformatting options. It allows the user to exclude compounds based on their effective price, and it recalculates the quote on-the-fly. Instant Quote reduces screening compound sourcing costs especially for large orders where manual optimization is not possible (many suppliers, different price schemes, delivery options, etc.). Additionally, the elimination of e-mail communication saves valuable time of scientists and procurement managers.

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You can request custom formatting (custom vials/plates, extra weighting, DMSO solutions) and Mcule delivers the compounds as requested.


Your ordered products will be delivered to you as a single package. You don’t need to deal with a lot of chemical suppliers, we collect all products and send you a consolidated package.


We provide complete EU and US customs clearance service (customs duties and taxes are paid by Mcule). Mcule does not charge any hidden customs costs to its customers. Additionally, our advanced service enables door-to-door delivery, meaning that you will not be contacted by any customs brokers, just get the package delivered to your door. Alternatively, if you have your own customs broker we can hand over the goods for him/her and continue the delivery process afterwards.

delivery.txt · Last modified: 2015/05/05 15:23 by flack