MCULE-6967445093-0
- 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 | 98 | 14 working days | Get Quote | 
| 5 mg | 7 USD | 98 | 14 working days | Get Quote | 
| 10 mg | 7 USD | 98 | 14 working days | Get Quote | 
- 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-6967445093-0.sdf | 
| SMILES | MCULE-6967445093-0.smiles | 
| Standard InChI | MCULE-6967445093-0.inchi | 
| InChIKey | MCULE-6967445093-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867558048 | 98 | As is | in stock | 
| P-875717427 | N/A | As is | in stock | 
| P-505400233 | 95 | As is | in stock | 
| P-903045934 | 98 | As is | 75 g | 
| P-893576706 | 90 | As is | 394.865 g | 
| P-580242803 | 95 | As is | by synthesis | 
| P-875894853 | N/A | As is | in stock | 
| P-606840388 | N/A | As is | in stock | 
| P-596944131 | 98 | As is | 100 g | 
| P-494328415 | 95 | As is | by resynthesis (? - ? days) | 
| P-864103734 | 95 | As is | in stock | 
| P-580734245 | 98 | As is | 43.35 g | 
| P-851284238 | 95 | As is | by synthesis | 
| P-868605441 | 98 | As is | in stock | 
| P-580415453 | 95 | As is | by resynthesis (? - ? days) | 
| P-905346869 | 95 | As is | 21.25 g | 
| P-862032329 | 95 | As is | 237.374 g | 
| P-900954964 | 90 | As is | in stock | 
| P-454423457 | 95 | As is | 5 g | 
| P-872929700 | N/A | As is | by synthesis | 
| P-852449888 | N/A | As is | in stock | 
| P-867944110 | 95 | As is | in stock | 
| P-889885019 | 95 | As is | by synthesis | 
| P-596788455 | 98 | As is | 32.7 g | 
| P-23215443 | 90 | As is | in stock | 
| P-611413044 | 90 | As is | in stock | 
| P-886945868 | 95 | As is | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 226.316 | 
| logP | 4.3393 | 
| H-bond acceptors | 2 | 
| H-bond donors | 2 | 
| Rotatable bonds | 2 | 
| PSA | 52.04 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 74.2008 | 
| Atoms | 35 | 
| Rings | 2 | 
| Heavy atoms | 17 | 
| Hydrogen atoms | 18 | 
| Heteroatoms | 2 | 
| N/O atoms | 2 | 
| 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 | 

