Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1779949470-0
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 | 19 USD | 98 | 15 working days | Get Quote |
| 5 mg | 37 USD | 98 | 15 working days | Get Quote |
| 10 mg | 54 USD | 98 | 15 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-1533621673-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-1779949470-0.sdf |
| SMILES | MCULE-1779949470-0.smiles |
| Standard InChI | MCULE-1779949470-0.inchi |
| InChIKey | MCULE-1779949470-0.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-903312181 | 98 | As is | 100 mg |
| P-893467342 | 90 | As is | 6.072 g |
| P-590868543 | 98 | As is | by synthesis |
| P-851315079 | 95 | As is | by synthesis |
| P-887198490 | 95 | As is | by synthesis |
| P-579482251 | 95 | As is | in stock |
| P-1275599348 | 95 | As is | by synthesis |
| P-854719705 | 95 | As is | in stock |
| P-584624944 | 95 | As is | in stock |
| P-619673112 | 98 | As is | in stock |
| P-617404292 | 98 | As is | in stock |
| P-893467375 | 90 | Main component | 18.543 g |
| P-873438404 | 98 | Main component | 1.303 g |
| P-861365853 | 95 | Main component | by synthesis |
| P-900266236 | 95 | Main component | in stock |
| P-1275599349 | 95 | Main component | by synthesis |
| P-854720462 | 95 | Main component | in stock |
| P-584624943 | 95 | Main component | in stock |
| P-888172154 | 98 | Main component | by synthesis |
| P-906801896 | 98 | Main component | by synthesis |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 632.535 |
| logP | 9.2796 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 14 |
| PSA | 49.77 |
| RO5 violations | 2 |
| RO3 violations | 4 |
| Refractivity | 166.6548 |
| Atoms | 77 |
| Rings | 4 |
| Heavy atoms | 43 |
| Hydrogen atoms | 34 |
| Heteroatoms | 9 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 5 |
| 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 |
