MCULE-7921040044-0
- 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 | 19 USD | 92 | 18 working days | Get Quote | 
| 5 mg | 29 USD | 92 | 18 working days | Get Quote | 
| 10 mg | 36 USD | 92 | 18 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.
 
- 
                    1
MCULE-7767008880-0
- Component type: Main
 
 - 
                    1
MCULE-8917344355-0
- Component type: Counter Ion
 
 
| Name | File | 
|---|---|
| SDF | MCULE-7921040044-0.sdf | 
| SMILES | MCULE-7921040044-0.smiles | 
| Standard InChI | MCULE-7921040044-0.inchi | 
| InChIKey | MCULE-7921040044-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886228392 | N/A | As is | by synthesis | 
| P-617175532 | 90 | As is | 5 mg | 
| P-893154659 | N/A | Main component | by synthesis | 
| P-894674050 | 95 | Main component | in stock | 
| P-851497930 | N/A | Main component | by synthesis | 
| P-590832765 | 95 | Main component | by synthesis | 
| P-666902377 | 90 | Main component | 100 mg | 
| P-580399115 | N/A | Main component | by resynthesis (? - ? days) | 
| P-13582468 | 95 | Main component | 300 mg | 
| P-891633200 | 95 | Main component | 5 g | 
| P-31173464 | 90 | Main component | 1000 mg | 
| P-864053108 | 95 | Main component | by synthesis | 
| P-13406238 | 92 | Main component | 300 mg | 
| P-605210073 | 90 | Main component | in stock | 
| P-2156795 | 90 | Main component | 110 mg | 
| Property | Value | 
|---|---|
| Components | 2 | 
| Mass | 474.382 | 
| logP | 6.4645 | 
| H-bond acceptors | 13 | 
| H-bond donors | 2 | 
| Rotatable bonds | 4 | 
| PSA | 199.26 | 
| RO5 violations | 2 | 
| RO3 violations | 5 | 
| Refractivity | 131.7617 | 
| Atoms | 49 | 
| Rings | 5 | 
| Heavy atoms | 35 | 
| Hydrogen atoms | 14 | 
| Heteroatoms | 13 | 
| N/O atoms | 13 | 
| 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 | 

