Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-2725307345
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 | 18 USD | 99 | 14 working days | Get Quote |
| 5 mg | 18 USD | 99 | 14 working days | Get Quote |
| 10 mg | 18 USD | 99 | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-9293763455
- Component type: Main
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-2725307345.sdf |
| SMILES | MCULE-2725307345.smiles |
| Standard InChI | MCULE-2725307345.inchi |
| InChIKey | MCULE-2725307345.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903111868 | 99 | As is | 35 g |
| P-610956412 | 90 | As is | 1.57804 kg |
| P-489110840 | 97 | As is | in stock |
| P-617552129 | 99 | As is | by synthesis |
| P-606956069 | 98 | As is | 7.2 g |
| P-851259302 | 98 | As is | by synthesis |
| P-861477941 | 95 | As is | by synthesis |
| P-579480192 | 95 | As is | in stock |
| P-579625591 | 98 | As is | unavailable |
| P-852470092 | N/A | As is | in stock |
| P-854720605 | 95 | As is | in stock |
| P-474026492 | 95 | As is | in stock |
| P-608269933 | 98 | As is | in stock |
| P-589631609 | N/A | As is | in stock |
| P-617402699 | N/A | As is | in stock |
| P-610956096 | 90 | Main component | 712.133 g |
| P-489144662 | 97 | Main component | in stock |
| P-605399350 | 95 | Main component | 170 g |
| P-500415276 | 95 | Main component | by synthesis |
| P-580703294 | 98 | Main component | 2.4 g |
| P-881634162 | 98 | Main component | in stock |
| P-851249201 | 98 | Main component | by synthesis |
| P-868618275 | 98 | Main component | in stock |
| P-579478647 | 95 | Main component | in stock |
| P-852491999 | N/A | Main component | in stock |
| P-854719179 | 95 | Main component | in stock |
| P-901840463 | 95 | Main component | in stock |
| P-474026491 | 95 | Main component | in stock |
| P-579710121 | N/A | Main component | in stock |
| P-589631422 | N/A | Main component | in stock |
| P-590751287 | 98 | Main component as a main component | by synthesis |
| P-854701828 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 404.360 |
| logP | 2.53778 |
| H-bond acceptors | 10 |
| H-bond donors | 4 |
| Rotatable bonds | 4 |
| PSA | 170.75 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 101.9186 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 21 |
| Heteroatoms | 11 |
| N/O atoms | 10 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
