MCULE-8972206051-0
- 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 | 19 USD | 92 | 18 working days | Get Quote | 
| 5 mg | 29 USD | 92 | 18 working days | Get Quote | 
| 10 mg | 36 USD | 95 | 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.
| Name | File | 
|---|---|
| SDF | MCULE-8972206051-0.sdf | 
| SMILES | MCULE-8972206051-0.smiles | 
| Standard InChI | MCULE-8972206051-0.inchi | 
| InChIKey | MCULE-8972206051-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867624283 | 95 | As is | in stock | 
| P-875786844 | N/A | As is | in stock | 
| P-612940084 | 95 | As is | in stock | 
| P-851423818 | N/A | As is | by synthesis | 
| P-596511307 | 90 | As is | 1000 mg | 
| P-596343266 | 90 | As is | 1000 mg | 
| P-901351320 | 95 | As is | by synthesis | 
| P-590778524 | 95 | As is | by synthesis | 
| P-492256724 | 95 | As is | in stock | 
| P-619932835 | 90 | As is | by synthesis | 
| P-607699336 | 90 | As is | 20 mg | 
| P-436454988 | 95 | As is | 15 g | 
| P-861528216 | 95 | As is | by synthesis | 
| P-502455595 | 95 | As is | by synthesis | 
| P-503826697 | 90 | As is | by synthesis | 
| P-502715385 | 90 | As is | in stock | 
| P-492216690 | 95 | As is | in stock | 
| P-488550327 | 90 | As is | in stock | 
| P-13742903 | 92 | As is | 300 mg | 
| P-855972419 | 95 | As is | 10 g | 
| P-613304226 | 95 | As is | by synthesis | 
| P-852380425 | N/A | As is | in stock | 
| P-854920898 | 95 | As is | by synthesis | 
| P-12983762 | 90 | As is | 1 mg | 
| P-454372028 | 92 | As is | in stock | 
| P-13974528 | 92 | As is | 300 mg | 
| P-18919555 | 90 | As is | in stock | 
| P-23393811 | 90 | As is | 13 mg | 
| P-33807616 | 90 | As is | in stock | 
| P-502352203 | 90 | As is | in stock | 
| P-23325480 | 94 | As is | by resynthesis (? - ? days) | 
| P-903644728 | 94 | As is | by resynthesis (? - ? days) | 
| P-611396660 | 90 | As is | in stock | 
| P-3240841 | 90 | As is | 1.118 g | 
| P-893674170 | 95 | As is | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 211.690 | 
| logP | 2.5754 | 
| H-bond acceptors | 3 | 
| H-bond donors | 0 | 
| Rotatable bonds | 1 | 
| PSA | 29.02 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 61.298 | 
| Atoms | 28 | 
| Rings | 2 | 
| Heavy atoms | 14 | 
| Hydrogen atoms | 14 | 
| 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 | 

