Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3406186245
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 64 USD | 90 | 17 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-3968560078
- Component type: Main
-
1
MCULE-9920754312
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3406186245.sdf |
| SMILES | MCULE-3406186245.smiles |
| Standard InChI | MCULE-3406186245.inchi |
| InChIKey | MCULE-3406186245.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890851634 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-881188567 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-612881623 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-890157700 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-869280076 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-596933066 | Angene | Building Blocks in stock | 97 | Main component | 75 mg |
| P-889793391 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
| P-452652433 | Chemfaces | Natural Compounds | 98 | Main component | in stock |
| P-868598972 | Combi-Blocks | Building Block in stock | 95 | Main component | in stock |
| P-889441796 | FluoroChem | General BB | N/A | Main component | in stock |
| P-890851695 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-855938725 | Key Organics | Building Blocks | 95 | Main component | 100 mg |
| P-855400706 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
| P-881188657 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-424894925 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-869113375 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
| P-888630415 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
| P-611398661 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855056242 | Toronto Research | In stock | 90 | Main component | in stock |
| P-35077633 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 176 mg |
| P-868502049 | eNovation Chemicals LLC | Building Blocks in stock | 97 | Main component | in stock |
| P-890157029 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 455.528 |
| logP | 1.8626 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 138.97 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 133.5104 |
| Atoms | 57 |
| Rings | 4 |
| Heavy atoms | 32 |
| Hydrogen atoms | 25 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| 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 | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
