Package Offers
Pick a package, and everything else is fixed: the price, the lead time and the number of compounds. Each package covers both the service and the compounds: we run the search, select the compounds and deliver them to your lab, ready for testing.
per project
What is Your Starting Point?
No matter where you are in your drug discovery journey, we have a package tailored to your needs.
01 · Ligand-Based Drug Discovery
Start here if you have a known ligand, a drug analog or a confirmed hit.
2D ANALOG SEARCH IN ENAMINE REAL SPACE
Enamine REAL Space
synthesized analogs
- Careful space exploration with synthon-based substructure and similarity search using FTrees, SpaceLight and SpaceMACS;
- Data processing and analysis of the search results;
- Curated selection of the closest analogs for synthesis.
Lead time: 3–4 weeks
3D ANALOG SEARCH IN STOCK COLLECTION
compounds
compounds
- Analysis and alignment of your reference compounds into one shape query and up to three pharmacophore queries;
- After virtual screening, prioritization by shape similarity scores and pharmacophore RMSD values;
- Curated selection shipped straight from stock.
Lead time: 5 business days
3D ANALOG SEARCH IN ENAMINE REAL SPACE
Enamine REAL Space
compounds
- One shape query and up to three pharmacophore queries built from your reference compounds;
- After virtual screening, consensus prioritization of 3D shape and pharmacophore results;
- Preparation of the final compound list for synthesis.
Lead time: 6 weeks
Swipe to see all 3 packages
02 · Structure-Based Drug Discovery
Start here if you have a 3D structure of your target protein.
MOLECULAR
DOCKING
compounds
compounds
- Physics-based molecular docking into your target protein structure;
- Docking results refinement by SQM rescoring of the 10,000 top-scored compounds;
- Final curated compounds selection for delivery from stock.
Lead time: 5 weeks
AL-ACCELERATED
DOCKING
compounds
compounds
- Exploration of a 100M Enamine REAL Space subset of your choice (Ro5 Diversity, Beyond Ro5 Diversity, Lead-Like, CNS-Penetrant or custom) with AL-based compound prioritization;
- SQM-based refinement of the 10,000 top-scored compounds;
- Consensus scoring and expert-guided compound selection.
Lead time: 7 weeks
V-SYNTHES
APPROACH
xREAL Space
compounds
- Synthon-based exploration of Enamine xREAL Space, starting from 8M docked fragment-like compounds;
- AL-accelerated docking of 200M compounds enumerated in targeted subspaces;
- SQM refinement of the top 30,000 compounds;
- Expert-driven selection of high-priority compounds.
Lead time: 12 weeks
Swipe to see all 3 packages
03 · FBDD 03 · Fragment-Based Drug Discovery
Start here if you have a fragment that interacts with your target.
FRAGMENT GROWING
REAL Space
compounds
- Fragment growing along the needed exit vectors into a custom library of up to 100M compounds;
- AL-accelerated docking of the library, followed by SQM refinement of the top 10,000 compounds;
- Expert-guided structure-based selection of high-priority hits for synthesis.
Typical hit rate: 6–42%
(hits: activity under 10 µM)
Lead time: 4-5 weeks
04 · DEL & DEL-ML
Start here if you have your target protein and your own DNA-encoded library. We run the selection, sequencing, data analysis and synthesis. Two paths start from one selection experiment.
CLASSICAL DEL
provided by you
DNA compounds
- Affinity selection of your DNA-encoded library against your target;
- Next-generation sequencing of the selection outputs;
- Data analysis and hit identification from the sequencing results;
- Custom off-DNA synthesis of the selected hits.
Lead time: 11-12 weeks
DEL-ML
provided by you
compounds
- Affinity selection of your DNA-encoded library against your target;
- Training of a machine learning model on your own DEL data;
- Screening of Enamine REAL Space with the trained model;
- Synthesis of the selected REAL Space compounds.
Lead time: 13–14 weeks
Swipe to see both packages
05 · CLASSICAL DEL + DEL-ML
Running both costs you less than two run separately.
VALUE
Custom off-DNA synthesis of the selected hits, exactly as in Classical DEL
ML-driven screening of Enamine REAL Space and synthesis of the selected molecules
Why Work with Chemspace?
Track record
Over 10 successfully delivered integrated projects.
Access to novel
chemical matter
Exclusive access to trillions of Enamine REAL compounds and proprietary Freedom Space 5.0.
Full-cycle delivery
You receive physical compounds ready to test, supplied as 1 mg or 3 µmol samples.
Bespoke approaches to match your needs
Each offer is built around what you already have at hand.
Compare
All Packages
Nine packages. Different approaches. Find the best fit for your project at a glance.
| Package | Space Explored | You Receive | Lead Time | Price |
|---|---|---|---|---|
| 2D analog search in Enamine REAL Space | 116.3B compounds | 50 compounds | 3-4 weeks | $9,000 |
| 3D analog search in Stock Collection | 2M compounds | 200 compounds | 5 business days | $7,000 |
| 3D analog search in Enamine REAL Space | 100M compounds | 50 compounds | 6 weeks | $14,000 |
| Molecular docking | 2M compounds | 200 compounds | 5 weeks | $10,000 |
| AL-accelerated docking | 100M compounds | 200 compounds | 7 weeks | $40,000 |
| V-SYNTHES | 4.4T compounds | 200 compounds | 12 weeks | $55,000 |
| Fragment growing | 116.3B compounds | 100 compounds | 4-5 weeks | $30,000 |
| Classical DEL | Your DEL | 10 compounds | 11-12 weeks | $27,000 |
| DEL-ML | Your DEL → 116.3B compounds | 100 compounds | 13-14 weeks | $35,000 |
| Classical DEL + DEL-ML | Your DEL → 116.3B compounds | 110 compounds | 13-14 weeks | $50,000 |
Switch the parameter to compare all packages. Tap a package for full details.
Frequently Asked Questions
Yes. Each package has a fixed scope and price, so you know exactly what you get. If your project needs something different, such as more compounds, a different REAL Space subset or additional search queries, we will prepare a quote for a modified package.
No. The compounds come from in-stock and make-on-demand catalogs, so they are available to other customers too. Your project data, screening results and the list of compounds selected for you stay confidential under an NDA.
No. Shipping is quoted separately because the cost depends on your destination and the number of compounds. We include it in your quote before the project starts, so you know the full cost upfront.
After the initial meeting you receive a proposal. Once it is agreed and all the needed documents are signed, the lead time starts when we have all required inputs.
Make-on-demand synthesis from Enamine REAL Space has a typical success rate of about 80%. To make sure you receive the full number of compounds in your package, we start synthesis on a larger selection than the final set. Your package therefore delivers exactly the number of compounds it specifies, even if some syntheses fail.
Both. Together with the compounds, you receive the data collected during the project, including compound structures and IDs, screening scores, and a summary of the selection rationale.
You can also take part in the final selection. We share the screening results with you, and you choose which compounds to order or synthesize. Alternatively, our experts make the selection for you.