MCULE-1215719824-0
- 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 | 25 USD | 98 | 16 working days | Get Quote | 
| 5 mg | 25 USD | 98 | 16 working days | Get Quote | 
| 10 mg | 25 USD | 98 | 16 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-6268951673-0
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-1215719824-0.sdf | 
| SMILES | MCULE-1215719824-0.smiles | 
| Standard InChI | MCULE-1215719824-0.inchi | 
| InChIKey | MCULE-1215719824-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886655968 | 99 | As is | in stock | 
| P-890177365 | N/A | As is | in stock | 
| P-903216428 | 98 | As is | 1000 mg | 
| P-889589684 | 95 | As is | in stock | 
| P-907573861 | 95 | As is | by synthesis | 
| P-675062482 | 90 | As is | in stock | 
| P-872747516 | 95 | As is | by synthesis | 
| P-505544375 | 95 | As is | in stock | 
| P-596592628 | 90 | As is | 5 g | 
| P-588249493 | N/A | As is | by synthesis | 
| P-895200195 | 95 | As is | by synthesis | 
| P-902988685 | 95 | As is | by synthesis | 
| P-872667574 | 95 | As is | in stock | 
| P-424917712 | 90 | As is | in stock | 
| P-892272798 | 95 | As is | by synthesis | 
| P-892349706 | 95 | As is | unavailable | 
| P-888588254 | 94 | As is | by resynthesis (? - ? days) | 
| P-464678673 | 90 | As is | 3.13 g | 
| P-25582927 | 90 | As is | 3.13 g | 
| P-480891723 | 95 | As is | in stock | 
| P-881672684 | 95 | As a main component | in stock | 
| P-505393674 | 98 | As a main component | in stock | 
| P-896024360 | 98 | As a main component | in stock | 
| P-907572428 | 95 | As a main component | by synthesis | 
| P-901460713 | 95 | As a main component | by synthesis | 
| P-617651404 | 90 | As a main component | in stock | 
| P-584602993 | 95 | As a main component | 21 g | 
| P-851268415 | 95 | As a main component | by synthesis | 
| P-580452697 | 98 | As a main component | in stock | 
| P-861433487 | 95 | As a main component | by synthesis | 
| P-580759872 | 90 | As a main component | in stock | 
| P-579476601 | 95 | As a main component | in stock | 
| P-505517045 | 95 | As a main component | in stock | 
| P-890850405 | 95 | As a main component | in stock | 
| P-524442687 | 97 | As a main component | 357 mg | 
| P-852426808 | N/A | As a main component | in stock | 
| P-896625741 | 95 | As a main component | by synthesis | 
| P-854711909 | 95 | As a main component | in stock | 
| P-584615100 | 95 | As a main component | in stock | 
| P-608274438 | 98 | As a main component | in stock | 
| P-889865649 | 95 | As a main component | by synthesis | 
| P-579711470 | N/A | As a main component | in stock | 
| P-869126504 | 95 | As a main component | by synthesis | 
| P-892290965 | 95 | As a main component | 1.005 g | 
| P-888639870 | 95 | As a main component | 1.005 g | 
| P-906782310 | 99 | As a main component | by synthesis | 
| P-480921374 | 95 | As a main component | in stock | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 284.377 | 
| logP | 2.6336 | 
| H-bond acceptors | 5 | 
| H-bond donors | 2 | 
| Rotatable bonds | 8 | 
| PSA | 95.67 | 
| RO5 violations | 0 | 
| RO3 violations | 3 | 
| Refractivity | 76.9069 | 
| Atoms | 39 | 
| Rings | 1 | 
| Heavy atoms | 19 | 
| Hydrogen atoms | 20 | 
| Heteroatoms | 6 | 
| N/O atoms | 5 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 1 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 1 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

