MCULE-1423526278-0
- 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 | 34 USD | 90 | 23 working days | Get Quote | 
| 5 mg | 55 USD | 90 | 23 working days | Get Quote | 
| 10 mg | 68 USD | 90 | 23 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-1423526278-0.sdf | 
| SMILES | MCULE-1423526278-0.smiles | 
| Standard InChI | MCULE-1423526278-0.inchi | 
| InChIKey | MCULE-1423526278-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-10675957 | 90 | As is | 42 mg | 
| P-428584371 | 90 | As is | in stock | 
| P-502682181 | 90 | As is | in stock | 
| P-26383991 | 90 | As is | 10 mg | 
| P-19016620 | 90 | As is | in stock | 
| P-907290484 | 94 | As is | by resynthesis (? - ? days) | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 354.352 | 
| logP | 3.8356 | 
| H-bond acceptors | 6 | 
| H-bond donors | 0 | 
| Rotatable bonds | 7 | 
| PSA | 74.97 | 
| RO5 violations | 0 | 
| RO3 violations | 5 | 
| Refractivity | 96.164 | 
| Atoms | 44 | 
| Rings | 3 | 
| Heavy atoms | 26 | 
| Hydrogen atoms | 18 | 
| Heteroatoms | 6 | 
| N/O atoms | 6 | 
| 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 | 

