MCULE-4374054066
- 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 | 6 USD | 90 | 22 working days | Get Quote | 
| 5 mg | 6 USD | 90 | 22 working days | Get Quote | 
| 10 mg | 6 USD | 90 | 22 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-4374054066.sdf | 
| SMILES | MCULE-4374054066.smiles | 
| Standard InChI | MCULE-4374054066.inchi | 
| InChIKey | MCULE-4374054066.txt | 
| mcule product ID | Guaranteed purity (%) | Product matching | Availability | 
|---|---|---|---|
| P-867585607 | 90 | As is | in stock | 
| P-867414320 | N/A | As is | by synthesis | 
| P-887313188 | 90 | As is | in stock | 
| P-865909928 | 90 | As is | 2 kg | 
| P-517098350 | 90 | As is | in stock | 
| P-870661669 | 90 | As is | in stock | 
| P-488543476 | 90 | As is | in stock | 
| P-855960452 | 90 | As is | 1000 g | 
| P-596586118 | 90 | As is | 1000 mg | 
| P-608280339 | 98 | As is | in stock | 
| P-454364084 | 92 | As is | in stock | 
| P-674717293 | 92 | As is | 300 mg | 
| P-491252376 | 95 | As is | by synthesis | 
| P-18995955 | 90 | As is | in stock | 
| P-33162967 | 90 | As is | 1000 mg | 
| P-906905809 | 97 | As is | in stock | 
| P-906779963 | 80 | As is | by synthesis | 
| P-406606 | 90 | As is | 2.949 g | 
| P-3217261 | 90 | As is | 2.949 g | 
| Property | Value | 
|---|---|
| Components | 1 | 
| Mass | 204.350 | 
| logP | 4.7252 | 
| H-bond acceptors | 0 | 
| H-bond donors | 0 | 
| Rotatable bonds | 0 | 
| PSA | 0.0 | 
| RO5 violations | 0 | 
| RO3 violations | 1 | 
| Refractivity | 68.783 | 
| Atoms | 39 | 
| Rings | 2 | 
| Heavy atoms | 15 | 
| Hydrogen atoms | 24 | 
| Heteroatoms | 0 | 
| N/O atoms | 0 | 
| Inorganic atoms | 0 | 
| Halogen atoms | 0 | 
| Chiral centers | 2 | 
| R/S chiral centers | 0 | 
| Unknown chiral centers | 0 | 
| Undefined chiral centers | 2 | 
| Stereo double bonds | 1 | 
| Cis/trans stereo double bonds | 0 | 
| Unknown stereo double bonds | 1 | 
| Undefined stereo double bonds | 0 | 

