MCULE-1695876021
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 71 USD | 90 | 21 working days | Get Quote |
10 mg | 84 USD | 95 | 21 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.
-
MCULE-8597727174
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1695876021.sdf |
SMILES | MCULE-1695876021.smiles |
Standard InChI | MCULE-1695876021.inchi |
InChIKey | MCULE-1695876021.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886628648 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889934156 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869374660 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-579526949 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 1000 mg |
P-502572409 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-612211874 | Life Chemicals | Screening Compounds | 90 | As is | in stock |
P-895707620 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492274605 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 142 mg |
P-34007290 | Otava | In-House Stock Library | 90 | As is | 142 mg |
P-491127235 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611591748 | Toronto Research | In stock | 90 | As is | in stock |
P-867623067 | A2B Chem | Predominantly Building Block in stock | 97 | As a main component | in stock |
P-875785783 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-588245739 | AK Scientific | Building Blocks | 97 | As a main component | in stock |
P-893455960 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As a main component | 2.945 g |
P-864092981 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-25838911 | Life Chemicals | Screening Compounds | 90 | As a main component | in stock |
P-468071385 | Life Chemicals | Building Blocks | 95 | As a main component | in stock |
P-852509931 | Matrix Scientific | All | N/A | As a main component | in stock |
P-854769696 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-855213514 | Toronto Research | In stock | 90 | As a main component | in stock |
P-893667630 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 197.231 |
logP | 1.3962 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 64.71 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 53.0682 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 15 |
Heteroatoms | 4 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |