Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-6468945133-0
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 | 33 USD | 90 | 19 working days | Get Quote |
| 5 mg | 50 USD | 90 | 19 working days | Get Quote |
| 10 mg | 63 USD | 90 | 19 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-5871083306-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6468945133-0.sdf |
| SMILES | MCULE-6468945133-0.smiles |
| Standard InChI | MCULE-6468945133-0.inchi |
| InChIKey | MCULE-6468945133-0.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-860639660 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
| P-889931194 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
| P-4665426 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
| P-607702281 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 2 mg |
| P-34766826 | Crea-Chim | HTS compounds | 90 | Main component | unavailable |
| P-596585759 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
| P-588255695 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
| P-864000817 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-621312602 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
| P-500394073 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
| P-19281512 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-885519172 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-12509247 | Specs | Screening Compounds | 90 | Main component | 256 mg |
| P-22779960 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
| P-873061294 | TimTec | ActiMol 4 Week - On demand | 94 | Main component | by resynthesis (? - ? days) |
| P-855225211 | Toronto Research | In stock | 90 | Main component | in stock |
| P-1409071 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 6 g |
| P-3215457 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component | 6 g |
| P-892490262 | Asinex | General screening catalog | 90 | Main component as a main component | 1000 mg |
| P-852383549 | Matrix Scientific | All | N/A | Main component as a main component | in stock |
| P-611482449 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 348.350 |
| logP | 1.9351 |
| H-bond acceptors | 8 |
| H-bond donors | 3 |
| Rotatable bonds | 7 |
| PSA | 117.98 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 89.5543 |
| Atoms | 45 |
| Rings | 2 |
| Heavy atoms | 25 |
| Hydrogen atoms | 20 |
| Heteroatoms | 8 |
| 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 | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
