MCULE-9728534974
- 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 | 120 USD | N/A | 17 working days | Get Quote | 
| 5 mg | 120 USD | N/A | 17 working days | Get Quote | 
| 10 mg | 120 USD | N/A | 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-9728534974.sdf | 
| SMILES | MCULE-9728534974.smiles | 
| Standard InChI | MCULE-9728534974.inchi | 
| InChIKey | MCULE-9728534974.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886597977 | 95 | As is | in stock | 
| P-889921054 | N/A | As is | by synthesis | 
| P-894664469 | 95 | As is | in stock | 
| P-903131097 | 95 | As is | 2.5 g | 
| P-851817276 | N/A | As is | by synthesis | 
| P-889820690 | 95 | As is | by synthesis | 
| P-580783322 | 90 | As is | by resynthesis (? - ? days) | 
| P-580771292 | 90 | As is | in stock | 
| P-502742835 | 90 | As is | in stock | 
| P-860790478 | N/A | As is | by synthesis | 
| P-854860866 | 95 | As is | by synthesis | 
| P-491135696 | 95 | As is | by synthesis | 
| P-33469977 | 90 | As is | in stock | 
| P-502347758 | 90 | As is | in stock | 
| P-907266565 | 94 | As is | by resynthesis (? - ? days) | 
| P-855349712 | 90 | As is | in stock | 
| P-893768169 | 95 | As is | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 151.086 | 
| logP | 2.0018 | 
| H-bond acceptors | 2 | 
| H-bond donors | 0 | 
| Rotatable bonds | 1 | 
| PSA | 26.03 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 26.471 | 
| Atoms | 14 | 
| Rings | 1 | 
| Heavy atoms | 10 | 
| Hydrogen atoms | 4 | 
| Heteroatoms | 5 | 
| N/O atoms | 2 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 3 | 
| 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 | 

