MCULE-1143148401
- 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 | 5 USD | 99 | 14 working days | Get Quote |
| 5 mg | 5 USD | 99 | 14 working days | Get Quote |
| 10 mg | 5 USD | 99 | 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-3721322622
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1143148401.sdf |
| SMILES | MCULE-1143148401.smiles |
| Standard InChI | MCULE-1143148401.inchi |
| InChIKey | MCULE-1143148401.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-590840422 | 98 | As is | by synthesis |
| P-869035884 | 95 | As is | by synthesis |
| P-903077229 | 99 | Main component | 10 kg |
| P-1264058805 | 95 | Main component | in stock |
| P-1264059959 | 95 | Main component | in stock |
| P-1264054091 | 95 | Main component | in stock |
| P-489153832 | 97 | Main component | in stock |
| P-579788409 | 95 | Main component | 15.127 kg |
| P-580721411 | 98 | Main component | 2.75 kg |
| P-905500988 | N/A | Main component | in stock |
| P-452660425 | 98 | Main component | in stock |
| P-881633553 | 98 | Main component | in stock |
| P-579477961 | 95 | Main component | in stock |
| P-905361431 | 98 | Main component | 4.5723 kg |
| P-493677511 | N/A | Main component | in stock |
| P-852496926 | N/A | Main component | in stock |
| P-899992765 | 95 | Main component | in stock |
| P-854691489 | 95 | Main component | in stock |
| P-579714165 | N/A | Main component | in stock |
| P-888851468 | N/A | Main component | in stock |
| P-1263957751 | 90 | Main component | in stock |
| P-617402203 | N/A | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 240.684 |
| logP | 2.6246 |
| H-bond acceptors | 4 |
| H-bond donors | 3 |
| Rotatable bonds | 3 |
| PSA | 79.11 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 64.3229 |
| Atoms | 29 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 13 |
| Heteroatoms | 5 |
| N/O atoms | 4 |
| 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 |

