MCULE-1470458857-0
- 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 | 26 working days | Get Quote | 
| 5 mg | 36 USD | 95 | 26 working days | Get Quote | 
| 10 mg | 41 USD | 95 | 26 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-1470458857-0.sdf | 
| SMILES | MCULE-1470458857-0.smiles | 
| Standard InChI | MCULE-1470458857-0.inchi | 
| InChIKey | MCULE-1470458857-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-852137433 | 95 | As is | by synthesis | 
| P-901217419 | N/A | As is | by synthesis | 
| P-904504719 | 95 | As is | in stock | 
| P-851753571 | N/A | As is | by synthesis | 
| P-901348079 | 95 | As is | by synthesis | 
| P-591078037 | 95 | As is | by synthesis | 
| P-5196485 | 90 | As is | 5 mg | 
| P-454695088 | 90 | As is | in stock | 
| P-607760875 | 90 | As is | 23 mg | 
| P-436447672 | 95 | As is | 10 g | 
| P-20009421 | 90 | As is | in stock | 
| P-861538532 | 95 | As is | by synthesis | 
| P-34792714 | 90 | As is | in stock | 
| P-596590560 | 90 | As is | 5 g | 
| P-852397927 | N/A | As is | in stock | 
| P-895544199 | 95 | As is | by synthesis | 
| P-885525602 | 95 | As is | by synthesis | 
| P-23900416 | 90 | As is | in stock | 
| P-12735037 | 90 | As is | 21 mg | 
| P-22790469 | 90 | As is | in stock | 
| P-888491033 | 94 | As is | by resynthesis (? - ? days) | 
| P-855353867 | 90 | As is | in stock | 
| P-1304411 | 90 | As is | 2.575 g | 
| P-3235171 | 90 | As is | 2.575 g | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 317.447 | 
| logP | 5.3611 | 
| H-bond acceptors | 3 | 
| H-bond donors | 1 | 
| Rotatable bonds | 5 | 
| PSA | 80.56 | 
| RO5 violations | 1 | 
| RO3 violations | 4 | 
| Refractivity | 94.4819 | 
| Atoms | 45 | 
| Rings | 2 | 
| Heavy atoms | 22 | 
| Hydrogen atoms | 23 | 
| Heteroatoms | 4 | 
| N/O atoms | 3 | 
| 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 | 

