Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4800111711
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 | 34 USD | 90 | 17 working days | Get Quote |
| 5 mg | 50 USD | 90 | 17 working days | Get Quote |
| 10 mg | 62 USD | N/A | 14 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 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-4803216787
- Component type: Main
-
1
MCULE-6872461833
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4800111711.sdf |
| SMILES | MCULE-4800111711.smiles |
| Standard InChI | MCULE-4800111711.inchi |
| InChIKey | MCULE-4800111711.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-889752470 | AmBeed | In stock | N/A | Main component | in stock |
| P-590965703 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
| P-666901382 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 25 mg |
| P-889374415 | FluoroChem | General BB | 95 | Main component | in stock |
| P-502543855 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-503914339 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
| P-502925870 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-13898839 | InterBioScreen | Natural Compounds | 92 | Main component | 300 mg |
| P-852418068 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854911742 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
| P-26367599 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
| P-19565457 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
| P-25734998 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 300 mg |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 229.184 |
| logP | -0.0441 |
| H-bond acceptors | 5 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 78.46 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 55.3737 |
| Atoms | 29 |
| Rings | 1 |
| Heavy atoms | 17 |
| Hydrogen atoms | 12 |
| Heteroatoms | 6 |
| N/O atoms | 5 |
| Inorganic atoms | 1 |
| Halogen atoms | 0 |
| 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 |
