Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5685835890
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 | 13 USD | 98 | 11 working days | Get Quote |
| 5 mg | 13 USD | 98 | 11 working days | Get Quote |
| 10 mg | 13 USD | 98 | 11 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-3306963340
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5685835890.sdf |
| SMILES | MCULE-5685835890.smiles |
| Standard InChI | MCULE-5685835890.inchi |
| InChIKey | MCULE-5685835890.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-869343290 | 95 | As is | by resynthesis (? - ? days) |
| P-901459881 | 95 | As is | by synthesis |
| P-870658656 | 98 | As is | in stock |
| P-675218482 | 95 | As is | in stock |
| P-899783707 | 97 | Main component | 5 mg |
| P-867603887 | N/A | Main component as a main component | in stock |
| P-875761122 | 90 | Main component as a main component | in stock |
| P-901328991 | 98 | Main component as a main component | in stock |
| P-903097583 | 98 | Main component as a main component | 1000 mg |
| P-1264049696 | 95 | Main component as a main component | in stock |
| P-893544669 | 90 | Main component as a main component | 2.2 g |
| P-865912940 | 98 | Main component as a main component | 750 mg |
| P-1273264004 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273268546 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-1273414343 | 95 | Main component as a main component | by resynthesis (? - ? days) |
| P-452654245 | 98 | Main component as a main component | in stock |
| P-851313945 | 95 | Main component as a main component | by synthesis |
| P-579478169 | 95 | Main component as a main component | in stock |
| P-855927048 | 97 | Main component as a main component | 100 mg |
| P-854691971 | 95 | Main component as a main component | in stock |
| P-896629681 | 95 | Main component as a main component | by synthesis |
| P-474024258 | 95 | Main component as a main component | in stock |
| P-619674760 | 98 | Main component as a main component | in stock |
| P-617404546 | 98 | Main component as a main component | in stock |
| P-896088237 | 80 | Main component as a main component | unavailable |
| P-869177329 | 95 | Main component as a main component | in stock |
| P-892295399 | 95 | Main component as a main component | unavailable |
| P-892252841 | 95 | Main component as a main component | 200 mg |
| P-892337802 | 95 | Main component as a main component | 200 mg |
| P-906837238 | 98 | Main component as a main component | by synthesis |
| P-1271627544 | 98 | Main component as a main component | in stock |
| P-893965584 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 465.280 |
| logP | 0.0858 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 51.8 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 112.458 |
| Atoms | 46 |
| Rings | 4 |
| Heavy atoms | 26 |
| Hydrogen atoms | 20 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| 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 |
