Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-8552238718
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 | 36 USD | 90 | 21 working days | Get Quote |
| 5 mg | 36 USD | 90 | 21 working days | Get Quote |
| 10 mg | 36 USD | 95 | 22 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.
| Name | File |
|---|---|
| SDF | MCULE-8552238718.sdf |
| SMILES | MCULE-8552238718.smiles |
| Standard InChI | MCULE-8552238718.inchi |
| InChIKey | MCULE-8552238718.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867543552 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
| P-875700895 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-887313221 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-436471348 | Alinda | Building Blocks | 95 | As is | in stock |
| P-34872850 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
| P-606883913 | AmBeed | In stock | N/A | As is | in stock |
| P-489150163 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-865904194 | Angene | Building Blocks in stock | 95 | As is | 5 g |
| P-864208326 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-454726642 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
| P-868632792 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
| P-862068758 | FluoroChem | General BB | N/A | As is | in stock |
| P-596586816 | Key Organics | Building Blocks | 90 | As is | 1000 mg |
| P-579633472 | LabSeeker, Inc | On demand Catalog | 96 | As is | by resynthesis (? - ? days) |
| P-588254839 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
| P-852392889 | Matrix Scientific | All | N/A | As is | in stock |
| P-854829229 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888893496 | PharmaBlock | In stock | N/A | As is | in stock |
| P-424818584 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
| P-885523043 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502326497 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-22529277 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 20 mg |
| P-611441677 | Toronto Research | In stock | 90 | As is | in stock |
| P-2196028 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.903 g |
| P-3221336 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.903 g |
| P-868509851 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 180.200 |
| logP | 1.9286 |
| H-bond acceptors | 3 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 46.53 |
| RO5 violations | 0 |
| RO3 violations | 1 |
| Refractivity | 49.1268 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 13 |
| Hydrogen atoms | 12 |
| Heteroatoms | 3 |
| N/O atoms | 3 |
| 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 |
