MCULE-7103451724
- 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 | 23 USD | 99 | 20 working days | Get Quote | 
| 5 mg | 28 USD | 95 | 7 working days | Get Quote | 
| 10 mg | 44 USD | 95 | 7 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-7103451724.sdf | 
| SMILES | MCULE-7103451724.smiles | 
| Standard InChI | MCULE-7103451724.inchi | 
| InChIKey | MCULE-7103451724.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886851210 | N/A | As is | in stock | 
| P-890193490 | N/A | As is | in stock | 
| P-902999855 | 98 | As is | in stock | 
| P-903455351 | 95 | As is | 500 mg | 
| P-893608614 | 90 | As is | 2.479 g | 
| P-893608490 | 90 | As is | 1.5 g | 
| P-901661695 | N/A | As is | in stock | 
| P-895114567 | 99 | As is | 200 mg | 
| P-905470077 | 95 | As is | in stock | 
| P-901918751 | 98 | As is | 1000 mg | 
| P-888623877 | 95 | As is | 100 mg | 
| P-895182794 | 95 | As is | in stock | 
| P-875884274 | 95 | As is | in stock | 
| P-12622651 | 90 | As is | unavailable | 
| P-892264311 | 95 | As is | by synthesis | 
| P-892270851 | 95 | As is | by synthesis | 
| P-892298445 | 95 | As is | unavailable | 
| P-892297855 | 95 | As is | unavailable | 
| P-892348778 | 95 | As is | 100 mg | 
| P-892345463 | 95 | As is | 100 mg | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 326.574 | 
| logP | 3.7183 | 
| H-bond acceptors | 4 | 
| H-bond donors | 2 | 
| Rotatable bonds | 4 | 
| PSA | 54.02 | 
| RO5 violations | 0 | 
| RO3 violations | 4 | 
| Refractivity | 73.9629 | 
| Atoms | 27 | 
| Rings | 2 | 
| Heavy atoms | 18 | 
| Hydrogen atoms | 9 | 
| Heteroatoms | 6 | 
| N/O atoms | 4 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 2 | 
| 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 | 

