Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
UNKNOWN STEREO
MCULE-4911514848
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 | 62 USD | 95 | 12 working days | Get Quote |
| 5 mg | 149 USD | 95 | 12 working days | Get Quote |
| 10 mg | 201 USD | 95 | 22 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-5751792032
- Component type: Main
-
1
MCULE-3833394421
- Component type: Counter Ion
-
1
MCULE-5726619687
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4911514848.sdf |
| SMILES | MCULE-4911514848.smiles |
| Standard InChI | MCULE-4911514848.inchi |
| InChIKey | MCULE-4911514848.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-886728695 | 95 | Main component | in stock |
| P-1270284030 | 95 | Main component | in stock |
| P-1263078676 | N/A | Main component | in stock |
| P-1272005042 | 95 | Main component | 100 mg |
| P-1268697250 | 95 | Main component | in stock |
| P-1274344102 | 95 | Main component | unavailable |
| P-1274355583 | 95 | Main component | 9 mg |
| P-855347841 | 90 | Main component | in stock |
| P-1271659883 | 99 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 714.925 |
| logP | 10.4621 |
| H-bond acceptors | 9 |
| H-bond donors | 3 |
| Rotatable bonds | 35 |
| PSA | 163.23 |
| RO5 violations | 2 |
| RO3 violations | 5 |
| Refractivity | 195.9614 |
| Atoms | 120 |
| Rings | 0 |
| Heavy atoms | 48 |
| Hydrogen atoms | 72 |
| Heteroatoms | 11 |
| N/O atoms | 9 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 1 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 1 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 1 |
| Undefined stereo double bonds | 0 |
