Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-5595596441
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 | 128 USD | 95 | 17 working days | Get Quote |
| 5 mg | 128 USD | 95 | 17 working days | Get Quote |
| 10 mg | 128 USD | 95 | 17 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-1242395876
- Component type: Main
-
2
MCULE-6647815245
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-5595596441.sdf |
| SMILES | MCULE-5595596441.smiles |
| Standard InChI | MCULE-5595596441.inchi |
| InChIKey | MCULE-5595596441.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-886463211 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-131234454 | Life Chemicals | Screening Compounds | 90 | As is | 842 mg |
| P-852108524 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
| P-875815355 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590356057 | AK Scientific | Building Blocks | 95 | Main component | in stock |
| P-851712912 | AmBeed | On request | N/A | Main component | by synthesis |
| P-596503738 | Asinex | General bb catalog | 90 | Main component | 1000 mg |
| P-870025545 | Asinex | General screening catalog | 90 | Main component | 1000 mg |
| P-591061233 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
| P-577179161 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
| P-861377681 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
| P-861974454 | FluoroChem | General BB | N/A | Main component | in stock |
| P-492219718 | Innovapharm | Building Blocks | 95 | Main component | in stock |
| P-502807730 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
| P-502471356 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-500223372 | LeadGen Labs | In-stock compounds | 96 | Main component | in stock |
| P-601049788 | Life Chemicals | Screening Compounds | 90 | Main component | 3.915 g |
| P-14063150 | Life Chemicals | Building Blocks | 95 | Main component | 3.915 g |
| P-852388266 | Matrix Scientific | All | N/A | Main component | in stock |
| P-491072366 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
| P-23343034 | TimTec | ActiMol 6 Week | 90 | Main component | in stock |
| P-502340249 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611575328 | Toronto Research | In stock | 90 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 3 |
| Mass | 351.353 |
| logP | -1.1416 |
| H-bond acceptors | 11 |
| H-bond donors | 5 |
| Rotatable bonds | 5 |
| PSA | 181.7 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 90.1356 |
| Atoms | 49 |
| Rings | 1 |
| Heavy atoms | 24 |
| Hydrogen atoms | 25 |
| Heteroatoms | 11 |
| N/O atoms | 11 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 1 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 1 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
