MCULE-5257712966-2
- 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 | 16 USD | 95 | 18 working days | Get Quote |
5 mg | 16 USD | 95 | 18 working days | Get Quote |
10 mg | 16 USD | 95 | 18 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.
-
2
MCULE-7938010131-3
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5257712966-2.sdf |
SMILES | MCULE-5257712966-2.smiles |
Standard InChI | MCULE-5257712966-2.inchi |
InChIKey | MCULE-5257712966-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-864197560 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-885544611 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-535626985 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-615639386 | LabNetwork | In stock | 95 | Main component | in stock |
P-856042329 | LaboTest | Building Blocks | 90 | Main component | unavailable |
P-31156587 | LaboTest | Screening Collection | 90 | Main component | unavailable |
P-854691001 | MedChemExpress | Natural Products In stock | 95 | Main component | in stock |
P-896629841 | MedChemExpress | Screening compounds on demand | 95 | Main component | by synthesis |
P-608280185 | Molnova | Stock | 98 | Main component | in stock |
P-500375027 | Pi Chemicals | Virtual Compounds | 98 | Main component | by synthesis |
P-889875983 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-892238540 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-892292915 | TargetMol | In Stock BB | 95 | Main component | 1.001 g |
P-892328402 | TargetMol | Screening Compounds - stock amount | 95 | Main component | 1.001 g |
P-489212990 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component as a main component | in stock |
P-863742416 | MedChemExpress | Natural Products on demand | 95 | Main component as a main component | by synthesis |
P-885544610 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 400.334 |
logP | 0.0472 |
H-bond acceptors | 16 |
H-bond donors | 8 |
Rotatable bonds | 0 |
PSA | 283.88 |
RO5 violations | 2 |
RO3 violations | 4 |
Refractivity | 92.0492 |
Atoms | 39 |
Rings | 4 |
Heavy atoms | 27 |
Hydrogen atoms | 12 |
Heteroatoms | 17 |
N/O atoms | 16 |
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 |