MCULE-6599053693
- 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 | 73 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-4633960136
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-6599053693.sdf |
| SMILES | MCULE-6599053693.smiles |
| Standard InChI | MCULE-6599053693.inchi |
| InChIKey | MCULE-6599053693.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-580232981 | 95 | Main component | by synthesis |
| P-489167871 | 97 | Main component | in stock |
| P-868543681 | 99 | Main component | in stock |
| P-901491482 | 95 | Main component | by synthesis |
| P-901524457 | 95 | Main component | by synthesis |
| P-901539319 | 95 | Main component | by synthesis |
| P-893238905 | 95 | Main component | in stock |
| P-860798934 | 98 | Main component | in stock |
| P-580451891 | 99 | Main component | in stock |
| P-579477052 | 95 | Main component | in stock |
| P-870653093 | N/A | Main component | in stock |
| P-492243358 | 95 | Main component | in stock |
| P-488555829 | 92 | Main component | in stock |
| P-488546862 | 90 | Main component | in stock |
| P-650818512 | 90 | Main component | by synthesis |
| P-454366644 | 92 | Main component | in stock |
| P-500377543 | 98 | Main component | by synthesis |
| P-579268680 | 90 | Main component | in stock |
| P-611474739 | 90 | Main component | in stock |
| P-611517875 | 90 | Main component | in stock |
| P-1810578 | 90 | Main component | 121 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 425.266 |
| logP | 2.3108 |
| H-bond acceptors | 9 |
| H-bond donors | 0 |
| Rotatable bonds | 4 |
| PSA | 91.76 |
| RO5 violations | 0 |
| RO3 violations | 4 |
| Refractivity | 113.9215 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 18 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 0 |
| Halogen atoms | 2 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |

