Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1139901378
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- 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 | 96 | 14 working days | Get Quote |
| 5 mg | 7 USD | 96 | 14 working days | Get Quote |
| 10 mg | 7 USD | 96 | 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-8592595177
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1139901378.sdf |
| SMILES | MCULE-1139901378.smiles |
| Standard InChI | MCULE-1139901378.inchi |
| InChIKey | MCULE-1139901378.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-867555131 | 96 | Main component | in stock |
| P-875714000 | 96 | Main component | in stock |
| P-1275145205 | 95 | Main component | in stock |
| P-1275168382 | N/A | Main component | in stock |
| P-903041398 | 96 | Main component | 4 kg |
| P-851954394 | N/A | Main component | in stock |
| P-596982246 | 99 | Main component | 300 g |
| P-864161441 | 95 | Main component | in stock |
| P-893238532 | 95 | Main component | in stock |
| P-868609505 | 98 | Main component | in stock |
| P-580271807 | 95 | Main component | by resynthesis (? - ? days) |
| P-1273134863 | N/A | Main component | 600 g |
| P-596603841 | 95 | Main component | 5.41 g |
| P-579680720 | 95 | Main component | by resynthesis (? - ? days) |
| P-31273866 | 90 | Main component | 10 g |
| P-856040604 | 90 | Main component | 10 g |
| P-581745097 | 95 | Main component | in stock |
| P-895281697 | 95 | Main component | by synthesis |
| P-885536712 | 95 | Main component | by synthesis |
| P-502368085 | 90 | Main component | in stock |
| P-611498541 | 90 | Main component | in stock |
| P-1271664823 | 99 | Main component | in stock |
| P-489217593 | 97 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 249.862 |
| logP | 0.9334 |
| H-bond acceptors | 0 |
| H-bond donors | 1 |
| Rotatable bonds | 12 |
| PSA | 27.64 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 79.2301 |
| Atoms | 48 |
| Rings | 0 |
| Heavy atoms | 16 |
| Hydrogen atoms | 32 |
| Heteroatoms | 2 |
| N/O atoms | 1 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| 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 |
