Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-1228361813
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 | 27 USD | 98 | 20 working days | Get Quote |
| 5 mg | 27 USD | 98 | 20 working days | Get Quote |
| 10 mg | 27 USD | 98 | 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-1228361813.sdf |
| SMILES | MCULE-1228361813.smiles |
| Standard InChI | MCULE-1228361813.inchi |
| InChIKey | MCULE-1228361813.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-890156353 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
| P-887313570 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-610980428 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 638.5 g |
| P-608155783 | Alinda | Building Blocks | 95 | As is | in stock |
| P-489215203 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
| P-596995325 | Angene | Building Blocks in stock | 98 | As is | 75 g |
| P-864179080 | AstaTech | In Stock BBs | 95 | As is | in stock |
| P-889744238 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 26.75 g |
| P-868956324 | BLD pharm | In-stock building blocks | 98 | As is | 6.25 g |
| P-861481555 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
| P-889314868 | FluoroChem | General BB | N/A | As is | in stock |
| P-504608238 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
| P-596603065 | Key Organics | Building Blocks | 95 | As is | in stock |
| P-615648553 | LabNetwork | In stock | 95 | As is | in stock |
| P-852418225 | Matrix Scientific | All | N/A | As is | in stock |
| P-854840290 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
| P-888876031 | PharmaBlock | In stock | N/A | As is | in stock |
| P-889868095 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
| P-33209266 | TimTec | ActiMol 2 Week | 90 | As is | in stock |
| P-873229621 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-888227343 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 7 mg |
| P-615455036 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 193.199 |
| logP | 0.8432 |
| H-bond acceptors | 4 |
| H-bond donors | 1 |
| Rotatable bonds | 4 |
| PSA | 57.61 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 50.9183 |
| Atoms | 25 |
| Rings | 1 |
| Heavy atoms | 14 |
| Hydrogen atoms | 11 |
| Heteroatoms | 4 |
| N/O atoms | 4 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| 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 |
