MCULE-4869205424
- 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 | 28 USD | 92 | 18 working days | Get Quote | 
| 5 mg | 43 USD | 92 | 18 working days | Get Quote | 
| 10 mg | 54 USD | 92 | 18 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-4869205424.sdf | 
| SMILES | MCULE-4869205424.smiles | 
| Standard InChI | MCULE-4869205424.inchi | 
| InChIKey | MCULE-4869205424.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886043070 | N/A | As is | by synthesis | 
| P-4268243 | 90 | As is | 3 mg | 
| P-427924333 | 92 | As is | 300 mg | 
| P-14417529 | 90 | As is | 107 mg | 
| P-12834336 | 90 | As is | 1.527 g | 
| P-674707063 | 92 | As is | 300 mg | 
| P-18882897 | 90 | As is | in stock | 
| P-2168527 | 90 | As is | 194 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 348.373 | 
| logP | 4.7407 | 
| H-bond acceptors | 4 | 
| H-bond donors | 0 | 
| Rotatable bonds | 4 | 
| PSA | 84.75 | 
| RO5 violations | 0 | 
| RO3 violations | 5 | 
| Refractivity | 97.1975 | 
| Atoms | 37 | 
| Rings | 4 | 
| Heavy atoms | 25 | 
| Hydrogen atoms | 12 | 
| Heteroatoms | 5 | 
| N/O atoms | 4 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| 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 | 

