MCULE-1814167078-0
- 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 | 13 USD | 98 | 20 working days | Get Quote |
5 mg | 13 USD | 98 | 20 working days | Get Quote |
10 mg | 13 USD | 98 | 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-1814167078-0.sdf |
SMILES | MCULE-1814167078-0.smiles |
Standard InChI | MCULE-1814167078-0.inchi |
InChIKey | MCULE-1814167078-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867554367 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875713465 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590413599 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-489186087 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596982224 | Angene | Building Blocks in stock | 98 | As is | 375 g |
P-864150453 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868612796 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580432073 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-503008439 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-608115644 | LabSeeker, Inc | Stock Collection | 98 | As is | in stock |
P-31267030 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856042532 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-895255282 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500373973 | Pi Chemicals | Virtual Compounds | 98 | As is | by synthesis |
P-885537196 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502367227 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611527221 | Toronto Research | In stock | 90 | As is | in stock |
P-615410062 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 192.297 |
logP | 3.9051 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 20.23 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.273 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 20 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |