Take your search offline. With integrated access to our detailed databases.

For larger orders, work with data securely on a larger scale and integrate it flexibly into your workflow. Create internal library selections, filter by price, availability, lead times and more,

Direct Database access via FTP or API

If you prefer to search offline or need deeper, more granular data on compound sets, you can download or access our databases directly. Options including filtering, diversity analysis, clustering and virtual screening and docking will help simplify and enhance compound selection.


The data you need, the way you want

You decide how you cut and access the data. It’s truly open source and visible. View our table below to decide the best format for you.

Type of compounds

  • All stock compounds
  • Just screening compounds
  • Just building blocks
  • Full database (includes sold-out and unpriced/supplier-less compounds)

Supporting data

  • Pack size
  • Lead time
  • Price range
  • InChI/InChI Key
  • IUPAC

Format

  • Structures available as SDfiles and SMILES strings
  • Other data is embedded in the SDfiles or held in tab-delimited text files containing the SMILES strings.

Update frequency

  • FTP (monthly)
  • API (live)
  • Special tools and third party platforms (varies)

Register now to access our FTP and API databases

  1. Sign into your molport.com profile – or register, if you don't have one.
  2. Request access with one click in your profile.
  3. Your request will be submitted to our support team and your FTP access credentials will be confirmed within 24 hours on the page and by email.

Explore ways to access our databases

If you prefer to search offline or need deeper, more granular data on compound sets, you can download or access our databases directly. Options including filtering, diversity analysis, clustering and virtual screening and docking will help simplify and enhance compound selection.

A simple and secure downloadable file, updated monthly and free of charge to all registered users. It contains all the data in the Open Access Files plus data elements such as stock amount, pack size, lead time and price range.

 

Register for Access

For searches of up to 50k use our API to view constantly updated compound data directly from our suppliers. 80% of stock compound inventory data is updated daily and immediately visible. You need an account - please register then request access in your profile via the ‘API Keys’ section.

Register for Access

JSON data format

Implemented as REST interface

Sample projects available in Java and C#


Two ways to search our API:

Run SMILES or SMARTS structure queries on MolPort available compound database. Results will list SMILES and MolPort IDs of matching compounds.

 

API documentation
Run SMILES or SMARTS structure queries on MolPort available compound database. Results will list SMILES and MolPort IDs of matching compounds.

 

API resources

We also offer data access through a variety of third party platforms. Please note update frequency will vary between these.

Zinc database
Schrodinger database
Pubchem database
Chemspider database

Integrate our up-to-date database into your software for small molecule design, optimization, data analysis, modelling and more.

Stardrop software
Spaya software
MOE software
Chemaxon software

Integrate our up-to-date database into your workflows to process and analyse data – for example filtering by specific parameters, diversity selection, virtual screening or docking.

Pipeline pilot workflow
Knime workflow
Excel workflow

Need access another way?

For any other application or platform, please contact us to enable access. If it is not included on this page we will try to make it possible!

Contact us

Specialist Searches

Focus you search on natural compounds

Our dedicated natural compound database collects the most reliable natural product suppliers. Featuring over 10,000 unique natural products and 100,000 natural-like compounds - accessible by FTP.

Natural compounds

Speed up your search with pre-plated libraries

To make your search more effective and research time shorter, use our specially-priced database of pre-calculated libraries.

Pre-plated libraries
Cluster Search

Make complex search sets manageable with cluster search

Similarity searching, clustering, and filtering can all help explore chemical space and reduce an overwhelmingly large set of potential structures to a more manageable subset of representative compounds that might be synthesised or acquired. These ‘clusters’ can be searched with our other tools to see what is available and affordable and deliverable in the right time scale.

Contact us
Molport compound subsets

Cluster search case study

Universities of Liverpool and Manchester in the UK, Denmark Technical University

The Challenge

Create and acquire a reduced, diverse subset of representative compounds that covered a substantial part of the natural product chemical space. By clustering products into smaller subset groups using Molport’s tools, see more easily what was commercially available at that time and good value – and matching that up with fixed timing requirements.

The Result
117 compounds identified from 15 suppliers
134 compounds ordered
133 compounds delivered within the 4-week deadline

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