Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5339919477
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 | 65 USD | 95 | 11 working days | Get Quote |
| 5 mg | 111 USD | 98 | 22 working days | Get Quote |
| 10 mg | 186 USD | 98 | 22 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.
-
1
MCULE-9912891466
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5339919477.sdf |
| SMILES | MCULE-5339919477.smiles |
| Standard InChI | MCULE-5339919477.inchi |
| InChIKey | MCULE-5339919477.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886536012 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-890142035 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-610890807 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
| P-889559947 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-864222452 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-860799820 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861503234 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-563614503 | Key Organics | Building Blocks | 95 | As is | 100 mg |
| P-474023702 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-888174737 | Molnova | On demand | 98 | As is | by synthesis |
| P-888657428 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869162033 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-886614322 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
| P-890158407 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-851880814 | AmBeed | On request | N/A | Main component | by synthesis |
| P-881102668 | Angene | Building Blocks in stock | 98 | Main component | 15 mg |
| P-889521891 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-860799627 | Chiralstar | Chiralstar Building Blocks | 98 | Main component | in stock |
| P-675215514 | Hangzhou Apichem | Building Blocks in stock | 95 | Main component | in stock |
| P-878642430 | Molnova | Stock | 98 | Main component | in stock |
| P-888654005 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
| P-869158122 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 457.947 |
| logP | 5.8152 |
| H-bond acceptors | 7 |
| H-bond donors | 3 |
| Rotatable bonds | 11 |
| PSA | 90.9 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 127.1954 |
| Atoms | 60 |
| Rings | 3 |
| Heavy atoms | 32 |
| Hydrogen atoms | 28 |
| Heteroatoms | 8 |
| N/O atoms | 7 |
| 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 |
