Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6972974943
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 | 19 working days | Get Quote |
| 5 mg | 35 USD | 95 | 14 working days | Get Quote |
| 10 mg | 41 USD | 95 | 14 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-6972974943.sdf |
| SMILES | MCULE-6972974943.smiles |
| Standard InChI | MCULE-6972974943.inchi |
| InChIKey | MCULE-6972974943.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-872935905 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-889928662 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-613855715 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436446078 | Alinda | Building Blocks | 95 | As is | 10 g |
| P-20010573 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-851629760 | AmBeed | On request | N/A | As is | by synthesis |
| P-489168655 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-590847493 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
| P-5197213 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
| P-454691365 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-4113199 | ChemDiv | Discovery Chemistry Library | 90 | As is | 15 mg |
| P-868636348 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34795706 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-580439555 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
| P-861930619 | FluoroChem | General BB | N/A | As is | in stock |
| P-12594356 | InterBioScreen | Screening Compounds | 92 | As is | unavailable |
| P-596590649 | Key Organics | Building Blocks | 90 | As is | 500 mg |
| P-852396751 | Matrix Scientific | All | N/A | As is | in stock |
| P-23806623 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
| P-500393526 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885525679 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-23904006 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-22920970 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-888561098 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-855301674 | Toronto Research | In stock | 90 | As is | in stock |
| P-3235445 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1.936 g |
| P-1328404 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.936 g |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 321.369 |
| logP | 4.7789 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 59.42 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 95.0513 |
| Atoms | 43 |
| Rings | 3 |
| Heavy atoms | 24 |
| Hydrogen atoms | 19 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| 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 |
