MCULE-7726442790
- 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 | 39 USD | 95 | 37 working days | Get Quote |
5 mg | 49 USD | 97 | 20 working days | Get Quote |
10 mg | 49 USD | 97 | 20 working days | Get Quote |
- 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-7726442790.sdf |
SMILES | MCULE-7726442790.smiles |
Standard InChI | MCULE-7726442790.inchi |
InChIKey | MCULE-7726442790.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852097543 | A2B Chem | Predominantly Building Block on demand | N/A | As an isomer | by synthesis |
P-890156956 | AA Blocks | AA Blocks - in stock | N/A | As an isomer | in stock |
P-893524242 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As an isomer | 3.722 g |
P-851931131 | AmBeed | In stock | N/A | As an isomer | in stock |
P-25941687 | AnalytiCon Discovery | Natural screening compounds (70%+) | 70 | As an isomer | 100 mg |
P-868830534 | Angene | Building Blocks in stock | 97 | As an isomer | 500 mg |
P-896052793 | AstaTech | Backordered BBs | 95 | As an isomer | by synthesis |
P-868957531 | BLD pharm | Non-stock building blocks | 97 | As an isomer | by synthesis |
P-893229623 | Biosynth | In Stock | 95 | As an isomer | in stock |
P-893624425 | Combi-Blocks | Building Block on demand | 95 | As an isomer | by synthesis |
P-596580195 | Key Organics | Building Blocks | 97 | As an isomer | 10 mg |
P-895170686 | MedChemExpress | Natural Products In stock | 95 | As an isomer | in stock |
P-872672876 | MedKoo | In stock compounds | 95 | As an isomer | in stock |
P-608279932 | Molnova | Stock | 98 | As an isomer | in stock |
P-889869393 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As an isomer | by synthesis |
P-869113233 | TargetMol | Screening Compounds - synthesis | 95 | As an isomer | by synthesis |
P-888630339 | TargetMol | Screening Compounds - stock amount | 95 | As an isomer | unavailable |
P-33163122 | TimTec | ActiMol 1 Week - Stock | 90 | As an isomer | 20 mg |
P-611369962 | Toronto Research | In stock | 90 | As an isomer | in stock |
P-868535872 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As an isomer | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 288.251 |
logP | 2.2155 |
H-bond acceptors | 6 |
H-bond donors | 4 |
Rotatable bonds | 1 |
PSA | 107.22 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 73.5935 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 21 |
Hydrogen atoms | 12 |
Heteroatoms | 6 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |