MCULE-7092697398-0
- 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 | 7 USD | 98 | 14 working days | Get Quote |
| 5 mg | 7 USD | 98 | 14 working days | Get Quote |
| 10 mg | 7 USD | 98 | 14 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-1034910084-1
- Component type: Main
-
1
MCULE-3833394421-0
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-7092697398-0.sdf |
| SMILES | MCULE-7092697398-0.smiles |
| Standard InChI | MCULE-7092697398-0.inchi |
| InChIKey | MCULE-7092697398-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-875785495 | N/A | As is | in stock |
| P-869184510 | 95 | As is | in stock |
| P-505395670 | 98 | As is | in stock |
| P-902995148 | 95 | As is | in stock |
| P-903133753 | 98 | As is | 1000 g |
| P-1263694079 | N/A | As is | in stock |
| P-875890301 | 98 | As is | 1.5 kg |
| P-895937684 | 95 | As is | by resynthesis (? - ? days) |
| P-896030318 | 95 | As is | in stock |
| P-886855569 | 95 | As is | by synthesis |
| P-868595974 | 97 | As is | in stock |
| P-524167692 | 97 | As is | 100 g |
| P-893277784 | 95 | As is | 100 g |
| P-904067547 | 95 | As is | by synthesis |
| P-900008909 | 95 | As is | in stock |
| P-904258139 | 95 | As is | in stock |
| P-892271357 | 95 | As is | by synthesis |
| P-892349025 | 95 | As is | unavailable |
| P-906768216 | 98 | As is | by synthesis |
| P-611511976 | 90 | As is | in stock |
| P-868536785 | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 228.312 |
| logP | 1.4504 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 5 |
| PSA | 90.73 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 53.4675 |
| Atoms | 26 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 2 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| 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 |

