Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4224996633
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 | 26 USD | 99 | 16 working days | Get Quote |
| 5 mg | 44 USD | 99 | 16 working days | Get Quote |
| 10 mg | 59 USD | 99 | 16 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-4224996633.sdf |
| SMILES | MCULE-4224996633.smiles |
| Standard InChI | MCULE-4224996633.inchi |
| InChIKey | MCULE-4224996633.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867678683 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
| P-875855994 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-869252729 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610989449 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 243.23 g |
| P-606933616 | AmBeed | In stock | N/A | As is | in stock |
| P-864160715 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-580732467 | BLD pharm | In-stock building blocks | 99 | As is | 7.868 g |
| P-851312911 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-861286245 | Chiralstar | Chiralstar Building Blocks | 98 | As is | in stock |
| P-861358353 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-579482348 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-854621067 | Excenen | Excenen compounds | 98 | As is | in stock |
| P-675215414 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
| P-855927741 | Key Organics | Building Blocks | 97 | As is | 100 mg |
| P-854714078 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-584620548 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-608277857 | Molnova | Stock | 98 | As is | in stock |
| P-889883890 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-617404354 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888658269 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-594275697 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-611530335 | Toronto Research | In stock | 90 | As is | in stock |
| P-580079981 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 434.919 |
| logP | 5.6295 |
| H-bond acceptors | 6 |
| H-bond donors | 1 |
| Rotatable bonds | 6 |
| PSA | 125.88 |
| RO5 violations | 1 |
| RO3 violations | 5 |
| Refractivity | 110.3548 |
| Atoms | 43 |
| Rings | 4 |
| Heavy atoms | 28 |
| Hydrogen atoms | 15 |
| Heteroatoms | 9 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 1 |
| 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 |
