MCULE-8189016058-0
- 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 | 40 USD | 90 | 22 working days | Get Quote |
| 5 mg | 58 USD | 90 | 22 working days | Get Quote |
| 10 mg | 74 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.
-
1
MCULE-5067176191-0
- Component type: Main
-
2
MCULE-1858636187-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8189016058-0.sdf |
| SMILES | MCULE-8189016058-0.smiles |
| Standard InChI | MCULE-8189016058-0.inchi |
| InChIKey | MCULE-8189016058-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-622930715 | 90 | As is | by synthesis |
| P-872825220 | 95 | Main component as a main component | in stock |
| P-875688859 | N/A | Main component as a main component | in stock |
| P-903007949 | 95 | Main component as a main component | 750 mg |
| P-867736709 | N/A | Main component as a main component | by synthesis |
| P-888812887 | 95 | Main component as a main component | 500 mg |
| P-889790375 | 95 | Main component as a main component | in stock |
| P-666900064 | 90 | Main component as a main component | 5 mg |
| P-889732902 | 95 | Main component as a main component | by synthesis |
| P-630640714 | 90 | Main component as a main component | by synthesis |
| P-18930059 | 90 | Main component as a main component | in stock |
| P-906831680 | 98 | Main component as a main component | by synthesis |
| P-447418 | 90 | Main component as a main component | 327 mg |
| P-886970147 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 569.341 |
| logP | 4.3528 |
| H-bond acceptors | 12 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 174.76 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 129.392 |
| Atoms | 60 |
| Rings | 4 |
| Heavy atoms | 38 |
| Hydrogen atoms | 22 |
| Heteroatoms | 14 |
| N/O atoms | 12 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| 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 |

