Get optimized quotes instantly for 40M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8948768704
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 | 96 | 9 working days | Get Quote |
| 5 mg | 13 USD | 96 | 9 working days | Get Quote |
| 10 mg | 13 USD | 96 | 9 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-3959517709
- Component type: Main
-
4
MCULE-3833394421
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-8948768704.sdf |
| SMILES | MCULE-8948768704.smiles |
| Standard InChI | MCULE-8948768704.inchi |
| InChIKey | MCULE-8948768704.txt |
| mcule product ID | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|
| P-868618649 | 96 | As is | in stock |
| P-895525963 | 95 | As is | by synthesis |
| P-590931759 | 95 | Main component | by synthesis |
| P-905142652 | 95 | Main component | in stock |
| P-1275582240 | 96 | Main component as a main component | by synthesis |
| P-901924016 | 98 | Main component as a main component | 2.037 g |
| P-616195828 | 95 | Main component as a main component | by synthesis |
| P-901648791 | 98 | Main component as a main component | in stock |
| P-868597227 | 95 | Main component as a main component | in stock |
| P-888172509 | 98 | Main component as a main component | by synthesis |
| P-617403635 | 98 | Main component as a main component | in stock |
| Property | Value |
|---|---|
| Components | 5 |
| Mass | 428.043 |
| logP | -1.3904 |
| H-bond acceptors | 12 |
| H-bond donors | 3 |
| Rotatable bonds | 9 |
| PSA | 242.22 |
| RO5 violations | 1 |
| RO3 violations | 4 |
| Refractivity | 52.6564 |
| Atoms | 34 |
| Rings | 0 |
| Heavy atoms | 24 |
| Hydrogen atoms | 10 |
| Heteroatoms | 18 |
| N/O atoms | 12 |
| Inorganic atoms | 4 |
| Halogen atoms | 0 |
| Chiral centers | 3 |
| R/S chiral centers | 3 |
| 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 |
