MCULE-6141742573
- 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 | 72 USD | 90 | 10 working days | Get Quote | 
| 5 mg | 89 USD | 90 | 10 working days | Get Quote | 
| 10 mg | 121 USD | 90 | 10 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.
- 
                    
                    - MCULE-6286390978
- Component type: Main
 
- 
                    
                    - MCULE-3936118786
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-6141742573.sdf | 
| SMILES | MCULE-6141742573.smiles | 
| Standard InChI | MCULE-6141742573.inchi | 
| InChIKey | MCULE-6141742573.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-893132809 | N/A | As is | by synthesis | 
| P-6791564 | 90 | As is | 5 mg | 
| P-887308034 | 97 | As is | by synthesis | 
| P-579476207 | 90 | As is | 190 mg | 
| P-854930269 | 95 | As is | by synthesis | 
| P-19093973 | 90 | As is | in stock | 
| P-33207782 | 90 | As is | in stock | 
| P-3239008 | 90 | As is | 49 mg | 
| P-33209808 | 90 | As a main component | in stock | 
| P-33209762 | 90 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 248.706 | 
| logP | 2.7898 | 
| H-bond acceptors | 3 | 
| H-bond donors | 0 | 
| Rotatable bonds | 1 | 
| PSA | 25.36 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 72.48 | 
| Atoms | 30 | 
| Rings | 3 | 
| Heavy atoms | 17 | 
| Hydrogen atoms | 13 | 
| Heteroatoms | 4 | 
| N/O atoms | 3 | 
| 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 | 

