MCULE-9488093105-0
- 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 | 9 USD | 97 | 19 working days | Get Quote |
| 5 mg | 9 USD | 97 | 19 working days | Get Quote |
| 10 mg | 9 USD | 97 | 19 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-2058033578-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-9488093105-0.sdf |
| SMILES | MCULE-9488093105-0.smiles |
| Standard InChI | MCULE-9488093105-0.inchi |
| InChIKey | MCULE-9488093105-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903019277 | 97 | As is | 10 g |
| P-893511079 | 90 | As is | 37.447 g |
| P-590935505 | 97 | As is | by synthesis |
| P-887965711 | 97 | As is | in stock |
| P-889287966 | 97 | As is | 16.097 g |
| P-854750079 | 95 | As is | in stock |
| P-903010913 | 95 | Main component | 750 mg |
| P-617043414 | 95 | Main component | by resynthesis (? - ? days) |
| P-489166334 | 97 | Main component | in stock |
| P-617432467 | 95 | Main component | 1.045 g |
| P-591012526 | 97 | Main component | by synthesis |
| P-851279110 | 95 | Main component | by synthesis |
| P-861550605 | 97 | Main component | by synthesis |
| P-893621221 | 95 | Main component | in stock |
| P-852605408 | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 163.601 |
| logP | 1.4767 |
| H-bond acceptors | 3 |
| H-bond donors | 2 |
| Rotatable bonds | 1 |
| PSA | 63.32 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 39.8122 |
| Atoms | 20 |
| Rings | 1 |
| Heavy atoms | 10 |
| Hydrogen atoms | 10 |
| Heteroatoms | 4 |
| N/O atoms | 3 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 2 |
| R/S chiral centers | 2 |
| 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 |

