MCULE-4561810194
- 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 | 38 USD | 98 | 16 working days | Get Quote | 
| 5 mg | 63 USD | 98 | 16 working days | Get Quote | 
| 10 mg | 86 USD | 99 | 15 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-3089149461
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-4561810194.sdf | 
| SMILES | MCULE-4561810194.smiles | 
| Standard InChI | MCULE-4561810194.inchi | 
| InChIKey | MCULE-4561810194.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867619968 | 98 | As is | in stock | 
| P-875782044 | N/A | As is | in stock | 
| P-869366437 | 95 | As is | in stock | 
| P-903127705 | 98 | As is | 500 mg | 
| P-893502359 | 90 | As is | 58.85 g | 
| P-893300916 | N/A | As is | in stock | 
| P-851935346 | N/A | As is | in stock | 
| P-885358674 | N/A | As is | in stock | 
| P-868830000 | 98 | As is | 1.25 g | 
| P-889563347 | 95 | As is | in stock | 
| P-890243972 | 95 | As is | 1.321 g | 
| P-611004055 | 98 | As is | 450 mg | 
| P-893218860 | 95 | As is | in stock | 
| P-861378663 | 95 | As is | by synthesis | 
| P-579482571 | 95 | As is | in stock | 
| P-873246023 | 95 | As is | 50 mg | 
| P-854718563 | 95 | As is | in stock | 
| P-871066227 | 95 | As is | in stock | 
| P-608272371 | 98 | As is | in stock | 
| P-617403931 | N/A | As is | in stock | 
| P-868518891 | 95 | As is | in stock | 
| P-886759268 | 99 | As a main component | in stock | 
| P-890188555 | N/A | As a main component | in stock | 
| P-902998585 | 99 | As a main component | in stock | 
| P-901662804 | N/A | As a main component | in stock | 
| P-904980329 | 95 | As a main component | by synthesis | 
| P-901923434 | 99 | As a main component | 479 mg | 
| P-1263261419 | 95 | As a main component | by synthesis | 
| P-872607616 | 95 | As a main component | in stock | 
| P-873247363 | 97 | As a main component | 50 mg | 
| P-863732168 | 95 | As a main component | in stock | 
| P-896070810 | 95 | As a main component | in stock | 
| P-893734352 | 95 | As a main component | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 393.482 | 
| logP | 4.2561 | 
| H-bond acceptors | 7 | 
| H-bond donors | 3 | 
| Rotatable bonds | 4 | 
| PSA | 95.95 | 
| RO5 violations | 0 | 
| RO3 violations | 5 | 
| Refractivity | 116.6994 | 
| Atoms | 56 | 
| Rings | 4 | 
| Heavy atoms | 29 | 
| Hydrogen atoms | 27 | 
| Heteroatoms | 7 | 
| N/O atoms | 7 | 
| 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 | 

