MCULE-8232450018
- 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 | 7 USD | 98 | 22 working days | Get Quote |
| 5 mg | 9 USD | 98 | 20 working days | Get Quote |
| 10 mg | 9 USD | 98 | 20 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-5508863882
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8232450018.sdf |
| SMILES | MCULE-8232450018.smiles |
| Standard InChI | MCULE-8232450018.inchi |
| InChIKey | MCULE-8232450018.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867620010 | 95 | As is | in stock |
| P-875782220 | N/A | As is | in stock |
| P-590396901 | 98 | As is | in stock |
| P-606932416 | N/A | As is | in stock |
| P-899944455 | N/A | As is | by synthesis |
| P-596964240 | 99 | As is | 2.5 g |
| P-864173208 | 98 | As is | in stock |
| P-505529923 | 95 | As is | in stock |
| P-855356050 | 90 | As is | in stock |
| P-886913516 | 95 | As is | in stock |
| P-867557715 | 98 | Main component | in stock |
| P-875717199 | N/A | Main component | in stock |
| P-505389589 | 95 | Main component | in stock |
| P-505352448 | 98 | Main component | in stock |
| P-580243521 | 95 | Main component | by synthesis |
| P-606892834 | N/A | Main component | in stock |
| P-596944068 | 98 | Main component | 25 g |
| P-864104463 | 95 | Main component | in stock |
| P-893218977 | 95 | Main component | in stock |
| P-893228243 | 95 | Main component | in stock |
| P-869127148 | 95 | Main component | by synthesis |
| P-892291356 | 95 | Main component | 395 mg |
| P-888640328 | 95 | Main component | 395 mg |
| P-666989190 | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 304.729 |
| logP | -1.3729 |
| H-bond acceptors | 8 |
| H-bond donors | 2 |
| Rotatable bonds | 3 |
| PSA | 98.82 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 85.5834 |
| Atoms | 37 |
| Rings | 2 |
| Heavy atoms | 20 |
| Hydrogen atoms | 17 |
| Heteroatoms | 9 |
| N/O atoms | 8 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| 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 |

