MCULE-4011298691
- 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 | 36 USD | 90 | 26 working days | Get Quote | 
| 5 mg | 36 USD | 90 | 26 working days | Get Quote | 
| 10 mg | 41 USD | 90 | 26 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.
- 
                    1- MCULE-1658311045
- Component type: Main
 
- 
                    2- MCULE-7728164114
- Component type: Counter Ion
 
| Name | File | 
|---|---|
| SDF | MCULE-4011298691.sdf | 
| SMILES | MCULE-4011298691.smiles | 
| Standard InChI | MCULE-4011298691.inchi | 
| InChIKey | MCULE-4011298691.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-489128117 | 97 | As is | in stock | 
| P-901347138 | 95 | As is | by synthesis | 
| P-619302212 | 90 | As is | 15 mg | 
| P-617323971 | 90 | As is | in stock | 
| P-1263263764 | 95 | As is | by synthesis | 
| P-34729249 | 90 | As is | in stock | 
| P-580788372 | 90 | As is | by resynthesis (? - ? days) | 
| P-502440925 | 90 | As is | in stock | 
| P-867627665 | 95 | Main component | in stock | 
| P-901196353 | N/A | Main component | by synthesis | 
| P-612940447 | 95 | Main component | in stock | 
| P-903143232 | 95 | Main component | 5 g | 
| P-851488340 | N/A | Main component | by synthesis | 
| P-589656803 | 95 | Main component | by resynthesis (? - ? days) | 
| P-596453398 | 90 | Main component | 1000 mg | 
| P-596497328 | 90 | Main component | 1000 mg | 
| P-864216118 | 98 | Main component | by synthesis | 
| P-590773704 | 95 | Main component | by synthesis | 
| P-492265789 | 90 | Main component | in stock | 
| P-504739389 | 90 | Main component | 1 mg | 
| P-619928693 | 90 | Main component | by synthesis | 
| P-861275124 | 95 | Main component | in stock | 
| P-868581348 | 95 | Main component | in stock | 
| P-580376957 | N/A | Main component | by resynthesis (? - ? days) | 
| P-890217493 | 90 | Main component | in stock | 
| P-590339924 | 90 | Main component | 1000 mg | 
| P-492222950 | 95 | Main component | in stock | 
| P-563668391 | 90 | Main component | 1000 mg | 
| P-852386963 | N/A | Main component | in stock | 
| P-869024714 | 95 | Main component | by synthesis | 
| P-12915387 | 90 | Main component | 994 mg | 
| P-492284889 | 90 | Main component | 994 mg | 
| P-519834427 | 90 | Main component | in stock | 
| P-502334534 | 90 | Main component | in stock | 
| P-906865423 | 97 | Main component | by synthesis | 
| P-611394559 | 90 | Main component | in stock | 
| P-1575902 | 90 | Main component | 120 mg | 
| P-893672935 | 95 | Main component | by synthesis | 
| P-893152510 | N/A | Main component as a main component | by synthesis | 
| P-853438647 | 95 | Main component as a main component | in stock | 
| P-851855586 | N/A | Main component as a main component | by synthesis | 
| P-591001686 | 95 | Main component as a main component | by synthesis | 
| P-895677740 | 95 | Main component as a main component | by synthesis | 
| Property | Value | 
|---|---|
| Components | 3 | 
| Mass | 269.251 | 
| logP | 4.3761 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 2 | 
| PSA | 29.26 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 79.0564 | 
| Atoms | 42 | 
| Rings | 2 | 
| Heavy atoms | 16 | 
| Hydrogen atoms | 26 | 
| Heteroatoms | 4 | 
| N/O atoms | 2 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 2 | 
| 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 | 

