Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-3652220948
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 | 7 USD | 95 | 20 working days | Get Quote |
| 5 mg | 7 USD | 95 | 20 working days | Get Quote |
| 10 mg | 7 USD | 95 | 20 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-3652220948.sdf |
| SMILES | MCULE-3652220948.smiles |
| Standard InChI | MCULE-3652220948.inchi |
| InChIKey | MCULE-3652220948.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867561036 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
| P-867508788 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-875720843 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-608269286 | AK Scientific | Building Blocks | 97 | As is | in stock |
| P-606873741 | AmBeed | In stock | N/A | As is | in stock |
| P-596927671 | Angene | Building Blocks in stock | 95 | As is | 2.043 kg |
| P-494330251 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
| P-864156132 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-481171222 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 155 g |
| P-851317735 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-868614741 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
| P-580287585 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
| P-861980341 | FluoroChem | General BB | 97 | As is | in stock |
| P-502528569 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
| P-563679261 | Key Organics | Building Blocks | 95 | As is | 250 mg |
| P-855999899 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
| P-31251906 | LaboTest | Screening Collection | 90 | As is | unavailable |
| P-611662903 | Manchester Organics | Stock compounds | 97 | As is | 375 g |
| P-852451933 | Matrix Scientific | All | N/A | As is | in stock |
| P-854728576 | MedChemExpress | In stock Building Blocks | 95 | As is | in stock |
| P-492281120 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As is | 6 g |
| P-12688569 | Otava | In-House Stock Library | 90 | As is | 6 g |
| P-500404330 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
| P-885534379 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-502361778 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611347012 | Toronto Research | In stock | 90 | As is | in stock |
| P-480864605 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 229.070 |
| logP | 2.2956 |
| H-bond acceptors | 2 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 26.3 |
| RO5 violations | 0 |
| RO3 violations | 0 |
| Refractivity | 50.177 |
| Atoms | 21 |
| Rings | 1 |
| Heavy atoms | 12 |
| Hydrogen atoms | 9 |
| Heteroatoms | 3 |
| N/O atoms | 2 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
