Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3322829966-0
Structure
Show compound
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 | 6 USD | N/A | 9 working days | Get Quote |
| 5 mg | 6 USD | N/A | 9 working days | Get Quote |
| 10 mg | 6 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.
-
1
MCULE-5997248224-0
- Component type: Main
-
2
MCULE-6572487779-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-3322829966-0.sdf |
| SMILES | MCULE-3322829966-0.smiles |
| Standard InChI | MCULE-3322829966-0.inchi |
| InChIKey | MCULE-3322829966-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-852100455 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-889928558 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
| P-489129110 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-896024448 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-851310218 | Chemshuttle | On request catalog | 95 | Main component | by synthesis |
| P-579481653 | DC Chemicals Limited | Stock Products | 95 | Main component | in stock |
| P-608276064 | Molnova | Stock | 98 | Main component | in stock |
| P-519901857 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-596903343 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-611474974 | Toronto Research | In stock | 90 | Main component | in stock |
| P-854963673 | Toronto Research | In stock | 90 | Main component | in stock |
| P-855067890 | Toronto Research | In stock | 90 | Main component | in stock |
| P-852046285 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 1 mg |
| P-893183246 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
| P-886563638 | A2B Chem | Predominantly Building Block in stock | 98 | Main component as a main component | in stock |
| P-890146807 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-875813082 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
| P-596931805 | Angene | Building Blocks in stock | 95 | Main component as a main component | 500 mg |
| P-860056537 | AvaChem Scientific | On demand | 95 | Main component as a main component | by synthesis |
| P-580721924 | BLD pharm | In-stock building blocks | 95 | Main component as a main component | unavailable |
| P-868630149 | Combi-Blocks | Building Block in stock | 95 | Main component as a main component | in stock |
| P-870570754 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
| P-855984270 | Key Organics | Building Blocks | 95 | Main component as a main component | 100 mg |
| P-474026046 | MedKoo | In stock compounds | 95 | Main component as a main component | in stock |
| P-608277201 | Molnova | Stock | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 566.159 |
| logP | 5.6906 |
| H-bond acceptors | 9 |
| H-bond donors | 2 |
| Rotatable bonds | 4 |
| PSA | 160.52 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 153.0256 |
| Atoms | 67 |
| Rings | 4 |
| Heavy atoms | 35 |
| Hydrogen atoms | 32 |
| Heteroatoms | 13 |
| N/O atoms | 9 |
| 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 |
