MCULE-2634904892-0
- 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 | 95 | 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-8309716527-0
- Component type: Main
 
| Name | File | 
|---|---|
| SDF | MCULE-2634904892-0.sdf | 
| SMILES | MCULE-2634904892-0.smiles | 
| Standard InChI | MCULE-2634904892-0.inchi | 
| InChIKey | MCULE-2634904892-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886163711 | N/A | As is | by synthesis | 
| P-4130323 | 90 | As is | 155 mg | 
| P-425297703 | 90 | As is | in stock | 
| P-503062365 | 90 | As is | by synthesis | 
| P-502609646 | 90 | As is | in stock | 
| P-12666763 | 95 | As is | 300 mg | 
| P-14198402 | 90 | As is | 91 mg | 
| P-12535020 | 90 | As is | 50 mg | 
| P-903593025 | 94 | As is | by resynthesis (? - ? days) | 
| P-617763307 | 90 | As a main component | 162 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 424.463 | 
| logP | 3.0021 | 
| H-bond acceptors | 6 | 
| H-bond donors | 1 | 
| Rotatable bonds | 7 | 
| PSA | 70.08 | 
| RO5 violations | 0 | 
| RO3 violations | 5 | 
| Refractivity | 120.9283 | 
| Atoms | 56 | 
| Rings | 4 | 
| Heavy atoms | 31 | 
| Hydrogen atoms | 25 | 
| Heteroatoms | 7 | 
| N/O atoms | 6 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| 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 | 

