MCULE-4720374498-0
- 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 | 28 USD | 95 | 7 working days | Get Quote | 
| 5 mg | 28 USD | 95 | 7 working days | Get Quote | 
| 10 mg | 28 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.
 
- 
                    
                    
MCULE-3598783218-0
- Component type: Main
 
 - 
                    
                    
MCULE-4138412625-0
- Component type: Main
 
 
| Name | File | 
|---|---|
| SDF | MCULE-4720374498-0.sdf | 
| SMILES | MCULE-4720374498-0.smiles | 
| Standard InChI | MCULE-4720374498-0.inchi | 
| InChIKey | MCULE-4720374498-0.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-892866521 | N/A | As is | in stock | 
| P-901202577 | N/A | As is | by synthesis | 
| P-903175207 | 95 | As is | 100 mg | 
| P-893618753 | 90 | As is | 225 mg | 
| P-895102453 | 98 | As is | 300 mg | 
| P-505501035 | 95 | As is | in stock | 
| P-888624685 | 95 | As is | 50 mg | 
| P-899988335 | 95 | As is | by synthesis | 
| P-584616924 | 95 | As is | in stock | 
| P-888174926 | 98 | As is | by synthesis | 
| P-869164806 | 95 | As is | by synthesis | 
| P-892300692 | 95 | As is | unavailable | 
| P-888659866 | 95 | As is | 74 mg | 
| P-852176300 | N/A | As a main component | by synthesis | 
| P-867500694 | N/A | As a main component | by synthesis | 
| P-580195918 | 98 | As a main component | in stock | 
| P-864228639 | 97 | As a main component | by synthesis | 
| P-893225203 | 95 | As a main component | in stock | 
| P-895531595 | 95 | As a main component | by synthesis | 
| P-899992378 | 95 | As a main component | in stock | 
| P-23115355 | 90 | As a main component | in stock | 
| P-596712976 | 90 | As a main component | 245 mg | 
| P-906839060 | 99 | As a main component | by synthesis | 
| P-906854739 | 95 | As a main component | by synthesis | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 300.823 | 
| logP | 3.5526 | 
| H-bond acceptors | 2 | 
| H-bond donors | 0 | 
| Rotatable bonds | 3 | 
| PSA | 6.48 | 
| RO5 violations | 0 | 
| RO3 violations | 2 | 
| Refractivity | 96.448 | 
| Atoms | 42 | 
| Rings | 3 | 
| Heavy atoms | 21 | 
| Hydrogen atoms | 21 | 
| Heteroatoms | 3 | 
| N/O atoms | 2 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 1 | 
| Chiral centers | 1 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 1 | 
| Stereo double bonds | 0 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 0 | 
| Undefined stereo double bonds | 0 | 

