Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5998166117
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 | 36 USD | 95 | 21 working days | Get Quote |
| 5 mg | 36 USD | 95 | 21 working days | Get Quote |
| 10 mg | 41 USD | 95 | 21 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-5998166117.sdf |
| SMILES | MCULE-5998166117.smiles |
| Standard InChI | MCULE-5998166117.inchi |
| InChIKey | MCULE-5998166117.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-892862368 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-901269435 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-613851155 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-901180514 | AmBeed | In stock | N/A | As is | in stock |
| P-901351171 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-901921924 | BLD pharm | In-stock building blocks | 97 | As is | 3.253 g |
| P-454717478 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-436454722 | Chemical Intelligence Co Limited | Building Blocks | 95 | As is | 10 g |
| P-20025282 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
| P-868633232 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-34833494 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-502700456 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-855972376 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
| P-852408917 | Matrix Scientific | All | N/A | As is | in stock |
| P-35166518 | Maybridge | Screening Collection | 90 | As is | 6.835 kg |
| P-854925413 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-12472614 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-19519906 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-873220386 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888431576 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
| P-611598992 | Toronto Research | In stock | 90 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 208.642 |
| logP | 2.57358 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 52.89 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 55.2867 |
| Atoms | 23 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 9 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
