Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4997346280
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 | 8 USD | N/A | 9 working days | Get Quote |
| 5 mg | 12 USD | N/A | 9 working days | Get Quote |
| 10 mg | 20 USD | N/A | 9 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-4997346280.sdf |
| SMILES | MCULE-4997346280.smiles |
| Standard InChI | MCULE-4997346280.inchi |
| InChIKey | MCULE-4997346280.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867632996 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-610974812 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 22.7 g |
| P-19891286 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606945779 | AmBeed | In stock | N/A | As is | in stock |
| P-851516186 | AmBeed | On request | N/A | As is | by synthesis |
| P-596966928 | Angene | Building Blocks in stock | 98 | As is | 2 g |
| P-580195797 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864116587 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-577207807 | ChemDiv | Discovery Chemistry Library | 90 | As is | 14 mg |
| P-851278875 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861286795 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-580452177 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-34762720 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
| P-862099278 | FluoroChem | General BB | N/A | As is | in stock |
| P-870663138 | Glentham Life Sciences | Compounds maintained in stock | 98 | As is | in stock |
| P-675216170 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-524439920 | Key Organics | Biochemicals | 97 | As is | 494 mg |
| P-642278148 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
| P-19169215 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-491318673 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-579713018 | Selleck Biotechnology GmbH | Product Catalog | N/A | As is | in stock |
| P-525185858 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
| P-892298092 | TargetMol | In Stock BB | 95 | As is | unavailable |
| P-888657982 | TargetMol | Screening Compounds - stock amount | 95 | As is | 102 mg |
| P-22848740 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
| P-596714716 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 30 mg |
| P-893514 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 185 mg |
| P-886889445 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 287.738 |
| logP | 4.0735 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 38.33 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 81.8687 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 14 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
