Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4421719012
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 | 12 USD | 97 | 20 working days | Get Quote |
| 5 mg | 12 USD | 97 | 20 working days | Get Quote |
| 10 mg | 12 USD | 97 | 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.
-
1
MCULE-4036779497
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
| Name | File |
|---|---|
| SDF | MCULE-4421719012.sdf |
| SMILES | MCULE-4421719012.smiles |
| Standard InChI | MCULE-4421719012.inchi |
| InChIKey | MCULE-4421719012.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867410622 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
| P-851626613 | AmBeed | On request | N/A | As is | by synthesis |
| P-889519307 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
| P-591173808 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
| P-505602388 | Chemcia | Virtual compounds | 95 | As is | by synthesis |
| P-895516758 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-875813492 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
| P-590417514 | AK Scientific | Building Blocks | 97 | Main component | in stock |
| P-893517684 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 16.247 g |
| P-580234191 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
| P-606869878 | AmBeed | In stock | N/A | Main component | in stock |
| P-489183236 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
| P-597004404 | Angene | Building Blocks in stock | 97 | Main component | 10 g |
| P-864086292 | AstaTech | In Stock BBs | 97 | Main component | in stock |
| P-616203713 | BLD pharm | In-stock building blocks | 97 | Main component | 9.07 g |
| P-505587973 | Chemcia | Stock compounds | 95 | Main component | in stock |
| P-868649293 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
| P-580433920 | Debye Scientific | General Catalog | 95 | Main component | by resynthesis (? - ? days) |
| P-861958015 | FluoroChem | General BB | 97 | Main component | in stock |
| P-502530754 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
| P-454386586 | Key Organics | Building Blocks | 95 | Main component | 18.642 g |
| P-18813475 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 18.642 g |
| P-14061612 | Life Chemicals | Building Blocks | 95 | Main component | 34.635 g |
| P-601063231 | Life Chemicals | Screening Compounds | 90 | Main component | 34.635 g |
| P-852416176 | Matrix Scientific | All | N/A | Main component | in stock |
| P-854744676 | MedChemExpress | In stock Building Blocks | 95 | Main component | in stock |
| P-502403332 | TimTec | Building Block Collection | 90 | Main component | in stock |
| P-611457346 | Toronto Research | In stock | 90 | Main component | in stock |
| P-886931205 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
| P-615418797 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
| Property | Value |
|---|---|
| Components | 2 |
| Mass | 262.757 |
| logP | 3.0915 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 3 |
| PSA | 93.45 |
| RO5 violations | 0 |
| RO3 violations | 3 |
| Refractivity | 66.6214 |
| Atoms | 31 |
| Rings | 2 |
| Heavy atoms | 16 |
| Hydrogen atoms | 15 |
| Heteroatoms | 6 |
| N/O atoms | 4 |
| 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 |
