Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4537017456
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 | 10 USD | 98 | 16 working days | Get Quote |
| 5 mg | 25 USD | 98 | 16 working days | Get Quote |
| 10 mg | 36 USD | 98 | 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-4537017456.sdf |
| SMILES | MCULE-4537017456.smiles |
| Standard InChI | MCULE-4537017456.inchi |
| InChIKey | MCULE-4537017456.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867624354 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875787147 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869326449 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610984608 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 16.674 g |
| P-851937710 | AmBeed | In stock | N/A | As is | in stock |
| P-489235517 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865918390 | Angene | Building Blocks in stock | 98 | As is | 574 mg |
| P-864181393 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-611004471 | BLD pharm | In-stock building blocks | 98 | As is | 574 mg |
| P-851283827 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-860799926 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861381485 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579481001 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-500235834 | Diverchim | Diverchim General Catalog | N/A | As is | in stock |
| P-675217594 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855963164 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-854715289 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871068750 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878644617 | Molnova | Stock | 98 | As is | in stock |
| P-889882140 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-617608876 | Specs | Screening Compounds | 90 | As is | 8 mg |
| P-888634011 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869119037 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855291574 | Toronto Research | In stock | 90 | As is | in stock |
| P-590426234 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 468.567 |
| logP | 5.3144 |
| H-bond acceptors | 7 |
| H-bond donors | 1 |
| Rotatable bonds | 10 |
| PSA | 105.18 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 126.3488 |
| Atoms | 61 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
