MCULE-2419640108
- 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 | 36 USD | 90 | 26 working days | Get Quote | 
| 5 mg | 36 USD | 90 | 26 working days | Get Quote | 
| 10 mg | 41 USD | 90 | 26 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-2419640108.sdf | 
| SMILES | MCULE-2419640108.smiles | 
| Standard InChI | MCULE-2419640108.inchi | 
| InChIKey | MCULE-2419640108.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-852115748 | 95 | As is | by synthesis | 
| P-889940736 | N/A | As is | by synthesis | 
| P-894677278 | 95 | As is | in stock | 
| P-851418900 | N/A | As is | by synthesis | 
| P-596493580 | 90 | As is | 1000 mg | 
| P-596422123 | 90 | As is | 1000 mg | 
| P-901357624 | 95 | As is | by synthesis | 
| P-590740022 | 95 | As is | by synthesis | 
| P-454710459 | 90 | As is | in stock | 
| P-436459073 | 95 | As is | in stock | 
| P-34892378 | 90 | As is | in stock | 
| P-861525540 | 95 | As is | by synthesis | 
| P-855973378 | 95 | As is | 10 g | 
| P-852386297 | N/A | As is | in stock | 
| P-854924070 | 95 | As is | by synthesis | 
| P-424838299 | 90 | As is | in stock | 
| P-502334413 | 90 | As is | in stock | 
| P-33580842 | 94 | As is | by resynthesis (? - ? days) | 
| P-855352672 | 90 | As is | in stock | 
| P-2183927 | 90 | As is | 1.058 g | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 189.210 | 
| logP | 2.6703 | 
| H-bond acceptors | 3 | 
| H-bond donors | 2 | 
| Rotatable bonds | 3 | 
| PSA | 45.4 | 
| RO5 violations | 0 | 
| RO3 violations | 0 | 
| Refractivity | 54.5237 | 
| Atoms | 25 | 
| Rings | 2 | 
| Heavy atoms | 14 | 
| Hydrogen atoms | 11 | 
| Heteroatoms | 3 | 
| N/O atoms | 3 | 
| 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 | 

