Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6415878091
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 | 7 USD | N/A | 14 working days | Get Quote |
| 5 mg | 49 USD | 97 | 16 working days | Get Quote |
| 10 mg | 49 USD | 97 | 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-6415878091.sdf |
| SMILES | MCULE-6415878091.smiles |
| Standard InChI | MCULE-6415878091.inchi |
| InChIKey | MCULE-6415878091.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867625578 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-875788501 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869280169 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606875483 | AmBeed | In stock | N/A | As is | in stock |
| P-865918686 | Angene | Building Blocks in stock | 97 | As is | 3.606 g |
| P-864174555 | AstaTech | In Stock BBs | 97 | As is | in stock |
| P-605423879 | BLD pharm | In-stock building blocks | 97 | As is | 3.606 g |
| P-851250572 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861379092 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-502742849 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-873243333 | Key Organics | Building Blocks | 97 | As is | 5 mg |
| P-855926622 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-852523571 | Matrix Scientific | All | N/A | As is | in stock |
| P-854715845 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-871064746 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-878642929 | Molnova | Stock | 98 | As is | in stock |
| P-26471770 | Otava | In-House Stock Library | 90 | As is | 50 mg |
| P-888845413 | PharmaBlock | On demand | N/A | As is | by synthesis |
| P-491318769 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-873283259 | Shanghai iChemical | In stock | N/A | As is | in stock |
| P-888659079 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-869163764 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-855065582 | Toronto Research | In stock | 90 | As is | in stock |
| P-886902458 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 294.800 |
| logP | 4.2478 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 5 |
| PSA | 70.23 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 80.3447 |
| Atoms | 34 |
| Rings | 2 |
| Heavy atoms | 19 |
| Hydrogen atoms | 15 |
| Heteroatoms | 5 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
