Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5798374976-0
Structure
Show compound
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 | 61 USD | 95 | 7 working days | Get Quote |
| 5 mg | 143 USD | 95 | 7 working days | Get Quote |
| 10 mg | 211 USD | 95 | 7 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-2638409796-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5798374976-0.sdf |
| SMILES | MCULE-5798374976-0.smiles |
| Standard InChI | MCULE-5798374976-0.inchi |
| InChIKey | MCULE-5798374976-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-900266323 | 95 | As is | in stock |
| P-854709624 | 95 | Main component | by synthesis |
| P-869141095 | 95 | Main component | unavailable |
| P-888646752 | 95 | Main component | unavailable |
| P-886735961 | N/A | Main component as a main component | in stock |
| P-890182325 | N/A | Main component as a main component | in stock |
| P-875864660 | 98 | Main component as a main component | in stock |
| P-874616929 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-874636646 | 99 | Main component as a main component | by resynthesis (? - ? days) |
| P-872725422 | 98 | Main component as a main component | in stock |
| P-893609184 | 90 | Main component as a main component | 5.638 g |
| P-899950908 | N/A | Main component as a main component | by synthesis |
| P-891666905 | N/A | Main component as a main component | by synthesis |
| P-895106052 | N/A | Main component as a main component | 100 mg |
| P-865933469 | 95 | Main component as a main component | 200 mg |
| P-1273268700 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1274825344 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-889522329 | 95 | Main component as a main component | by synthesis |
| P-864200391 | 95 | Main component as a main component | in stock |
| P-868544380 | 98 | Main component as a main component | in stock |
| P-905609303 | 97 | Main component as a main component | by synthesis |
| P-901905596 | 95 | Main component as a main component | by synthesis |
| P-901471522 | 95 | Main component as a main component | by synthesis |
| P-896633901 | 95 | Main component as a main component | by synthesis |
| P-1273137323 | 95 | Main component as a main component | 200 mg |
| P-855917810 | 95 | Main component as a main component | 100 mg |
| P-1273111651 | 97 | Main component as a main component | 100 mg |
| P-854721835 | 95 | Main component as a main component | in stock |
| P-905146306 | 95 | Main component as a main component | by synthesis |
| P-584625307 | 95 | Main component as a main component | in stock |
| P-892300650 | 95 | Main component as a main component | unavailable |
| P-892276184 | 95 | Main component as a main component | 203 mg |
| P-892352430 | 95 | Main component as a main component | 203 mg |
| P-893715944 | 95 | Main component as a main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 378.859 |
| logP | 3.0279 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 5 |
| PSA | 119.71 |
| RO5 violations | 0 |
| RO3 violations | 5 |
| Refractivity | 104.6638 |
| Atoms | 49 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 23 |
| Heteroatoms | 10 |
| N/O atoms | 9 |
| 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 |
