MCULE-4363205277-0
- 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 | 72 USD | 97 | 10 working days | Get Quote | 
| 5 mg | 89 USD | 97 | 10 working days | Get Quote | 
| 10 mg | 121 USD | 97 | 10 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-7479942361-0
- Component type: Main
 
 - 
                    1
MCULE-7728164114-1
- Component type: Counter Ion
 
 
| Name | File | 
|---|---|
| SDF | MCULE-4363205277-0.sdf | 
| SMILES | MCULE-4363205277-0.smiles | 
| Standard InChI | MCULE-4363205277-0.inchi | 
| InChIKey | MCULE-4363205277-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-886844037 | 95 | As is | in stock | 
| P-890113862 | N/A | As is | by synthesis | 
| P-903450165 | 95 | As is | 2.5 g | 
| P-904765245 | N/A | As is | by synthesis | 
| P-905585174 | 95 | As is | by synthesis | 
| P-893749113 | 95 | As is | by synthesis | 
| P-852103762 | 97 | Main component | by synthesis | 
| P-615728176 | 97 | Main component | in stock | 
| P-903165142 | 95 | Main component | 1000 mg | 
| P-610896222 | 90 | Main component | by synthesis | 
| P-851644686 | N/A | Main component | by synthesis | 
| P-489238805 | 97 | Main component | in stock | 
| P-590975926 | 97 | Main component | by synthesis | 
| P-454401690 | 97 | Main component | 28.702 g | 
| P-18810374 | 97 | Main component | 28.702 g | 
| P-579644853 | 95 | Main component | by resynthesis (? - ? days) | 
| P-852424344 | N/A | Main component | in stock | 
| P-864074826 | 95 | Main component | by synthesis | 
| P-873227454 | 90 | Main component | in stock | 
| Property | Value | 
|---|---|
| Components | 2 | 
| Mass | 201.605 | 
| logP | 1.7844 | 
| H-bond acceptors | 4 | 
| H-bond donors | 1 | 
| Rotatable bonds | 2 | 
| PSA | 67.26 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 48.3558 | 
| Atoms | 21 | 
| Rings | 1 | 
| Heavy atoms | 13 | 
| Hydrogen atoms | 8 | 
| Heteroatoms | 5 | 
| N/O atoms | 4 | 
| 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 | 

