Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3876013016
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 35 USD | 90 | 17 working days | Get Quote |
| 5 mg | 35 USD | 90 | 17 working days | Get Quote |
| 10 mg | 41 USD | 90 | 17 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-3876013016.sdf |
| SMILES | MCULE-3876013016.smiles |
| Standard InChI | MCULE-3876013016.inchi |
| InChIKey | MCULE-3876013016.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872831204 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875803980 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-893593113 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 1.75 g |
| P-19874483 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-867718062 | AmBeed | In stock | N/A | As is | in stock |
| P-865921711 | Angene | Building Blocks in stock | 95 | As is | 750 mg |
| P-889581234 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-861316833 | BLD pharm | In-stock building blocks | 95 | As is | 1.225 g |
| P-4188728 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
| P-449230189 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
| P-887322280 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889356999 | FluoroChem | General BB | N/A | As is | in stock |
| P-504610983 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-502948848 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-35201318 | Maybridge | Screening Collection | 90 | As is | 12.453 kg |
| P-869014671 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-13139265 | Otava | In-House Stock Library | 90 | As is | 48 mg |
| P-888882313 | PharmaBlock | In stock | N/A | As is | in stock |
| P-519781062 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-453913873 | Specs | Screening Compounds | 90 | As is | 237 mg |
| P-22443768 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 60 mg |
| P-3242334 | VITAS M CHEMICAL LIMITED | Collections of Fragments for Fragment-based Drug Discovery | 90 | As is | 50 mg |
| P-893993903 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 239.336 |
| logP | 3.1883 |
| H-bond acceptors | 3 |
| H-bond donors | 0 |
| Rotatable bonds | 2 |
| PSA | 45.76 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 68.427 |
| Atoms | 33 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 17 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
