MCULE-6841273843-0
- 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 | 76 USD | 90 | 22 working days | Get Quote | 
| 5 mg | 97 USD | 90 | 17 working days | Get Quote | 
| 10 mg | 110 USD | 90 | 17 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-6841273843-0.sdf | 
| SMILES | MCULE-6841273843-0.smiles | 
| Standard InChI | MCULE-6841273843-0.inchi | 
| InChIKey | MCULE-6841273843-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886094033 | N/A | As is | by synthesis | 
| P-869527312 | 90 | As is | 2 mg | 
| P-4667635 | 90 | As is | 50 mg | 
| P-3575781 | 90 | As is | 103 mg | 
| P-425237873 | 90 | As is | in stock | 
| P-502748496 | 90 | As is | in stock | 
| P-14167428 | 90 | As is | 26 mg | 
| P-33810421 | 90 | As is | in stock | 
| P-903623094 | 94 | As is | by resynthesis (? - ? days) | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 375.169 | 
| logP | 3.7833 | 
| H-bond acceptors | 5 | 
| H-bond donors | 0 | 
| Rotatable bonds | 4 | 
| PSA | 65.74 | 
| RO5 violations | 0 | 
| RO3 violations | 5 | 
| Refractivity | 88.0765 | 
| Atoms | 34 | 
| Rings | 3 | 
| Heavy atoms | 23 | 
| Hydrogen atoms | 11 | 
| Heteroatoms | 6 | 
| N/O atoms | 5 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| 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 | 

