MCULE-7899185359-0
- 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 | 36 USD | 92 | 15 working days | Get Quote | 
| 5 mg | 58 USD | 90 | 22 working days | Get Quote | 
| 10 mg | 73 USD | 90 | 22 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-4509748630-0
- Component type: Main
 
- 
                    
                    - MCULE-4394677765-0
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-7899185359-0.sdf | 
| SMILES | MCULE-7899185359-0.smiles | 
| Standard InChI | MCULE-7899185359-0.inchi | 
| InChIKey | MCULE-7899185359-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867626933 | 95 | As is | in stock | 
| P-875789890 | N/A | As is | in stock | 
| P-590360952 | 95 | As is | in stock | 
| P-874639528 | 97 | As is | in stock | 
| P-903141299 | 95 | As is | 2.5 g | 
| P-869992481 | 90 | As is | 1000 mg | 
| P-864093152 | 95 | As is | in stock | 
| P-502482990 | 95 | As is | by synthesis | 
| P-454398849 | 95 | As is | 500 mg | 
| P-454312183 | 95 | As is | 140 mg | 
| P-852402216 | N/A | As is | in stock | 
| P-854808464 | 95 | As is | by synthesis | 
| P-491071640 | 95 | As is | by synthesis | 
| P-23343907 | 90 | As is | in stock | 
| P-502348882 | 90 | As is | in stock | 
| P-873064081 | 94 | As is | by resynthesis (? - ? days) | 
| P-873101463 | 94 | As is | by resynthesis (? - ? days) | 
| P-873212240 | 94 | As is | by resynthesis (? - ? days) | 
| P-611596181 | 90 | As is | in stock | 
| P-893662542 | 95 | As is | by synthesis | 
| P-904531003 | 95 | As a main component | in stock | 
| P-610898106 | 90 | As a main component | by synthesis | 
| P-864264965 | 97 | As a main component | by synthesis | 
| P-488554063 | 90 | As a main component | in stock | 
| P-24458420 | 92 | As a main component | 300 mg | 
| P-869030628 | 95 | As a main component | by synthesis | 
| P-454374606 | 92 | As a main component | in stock | 
| P-617790380 | 90 | As a main component | 110 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 204.311 | 
| logP | 2.8105 | 
| H-bond acceptors | 2 | 
| H-bond donors | 1 | 
| Rotatable bonds | 3 | 
| PSA | 29.26 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 67.6544 | 
| Atoms | 35 | 
| Rings | 2 | 
| Heavy atoms | 15 | 
| Hydrogen atoms | 20 | 
| Heteroatoms | 2 | 
| N/O atoms | 2 | 
| 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 | 

