MCULE-7461567431
- 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 | 65 USD | 98 | 12 working days | Get Quote |
| 5 mg | 65 USD | 98 | 12 working days | Get Quote |
| 10 mg | 65 USD | 98 | 12 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-8677230473
- Component type: Main
-
2
MCULE-5932450224
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7461567431.sdf |
| SMILES | MCULE-7461567431.smiles |
| Standard InChI | MCULE-7461567431.inchi |
| InChIKey | MCULE-7461567431.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-870660715 | N/A | As is | in stock |
| P-893109689 | N/A | Main component | by synthesis |
| P-893137383 | N/A | Main component | by synthesis |
| P-892858872 | N/A | Main component | in stock |
| P-890150933 | N/A | Main component | in stock |
| P-903113024 | N/A | Main component | 100 mg |
| P-892189230 | N/A | Main component | 100 mg |
| P-861285841 | 95 | Main component | in stock |
| P-906774874 | 97 | Main component | by synthesis |
| P-906891869 | 20 | Main component | by synthesis |
| P-894007997 | 95 | Main component | in stock |
| P-867397305 | N/A | Main component as a main component | by synthesis |
| P-872724943 | 98 | Main component as a main component | in stock |
| P-872726858 | 98 | Main component as a main component | in stock |
| P-901507164 | 95 | Main component as a main component | by synthesis |
| P-870661480 | 95 | Main component as a main component | in stock |
| P-890848986 | 95 | Main component as a main component | in stock |
| P-890849232 | 95 | Main component as a main component | in stock |
| P-890849717 | 95 | Main component as a main component | in stock |
| P-890849747 | 95 | Main component as a main component | in stock |
| P-855910277 | 95 | Main component as a main component | 5 g |
| P-650817540 | 90 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 583.362 |
| logP | -0.1714 |
| H-bond acceptors | 18 |
| H-bond donors | 5 |
| Rotatable bonds | 8 |
| PSA | 314.22 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 92.3401 |
| Atoms | 47 |
| Rings | 3 |
| Heavy atoms | 33 |
| Hydrogen atoms | 14 |
| Heteroatoms | 23 |
| N/O atoms | 18 |
| Inorganic atoms | 2 |
| Halogen atoms | 0 |
| Chiral centers | 4 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 4 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

