Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5998236772
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 | 9 USD | 97 | 16 working days | Get Quote |
| 5 mg | 9 USD | 97 | 16 working days | Get Quote |
| 10 mg | 9 USD | 97 | 16 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-5998236772.sdf |
| SMILES | MCULE-5998236772.smiles |
| Standard InChI | MCULE-5998236772.inchi |
| InChIKey | MCULE-5998236772.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867654997 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875823052 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869351547 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-425134654 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-436478004 | Alinda | Building Blocks | 95 | As is | in stock |
| P-851954022 | AmBeed | In stock | N/A | As is | in stock |
| P-865924905 | Angene | Building Blocks in stock | 97 | As is | 43.75 g |
| P-869392035 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454737945 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-4088494 | ChemDiv | Discovery Chemistry Library | 90 | As is | 5 mg |
| P-868633074 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580759916 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
| P-889309821 | FluoroChem | General BB | N/A | As is | in stock |
| P-502746443 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855979479 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852536317 | Matrix Scientific | All | N/A | As is | in stock |
| P-854829199 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12344278 | Otava | In-House Stock Library | 90 | As is | 31 mg |
| P-888886696 | PharmaBlock | In stock | N/A | As is | in stock |
| P-18851154 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491072683 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-453917068 | Specs | Screening Compounds | 90 | As is | 259 mg |
| P-33889768 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
| P-888431909 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611540753 | Toronto Research | In stock | 90 | As is | in stock |
| P-424744948 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 220 mg |
| P-886892503 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 263.314 |
| logP | 3.6552 |
| H-bond acceptors | 4 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 74.78 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 70.5447 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 18 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| 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 |
