MCULE-5557778917
- 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 | 35 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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.
-
1
MCULE-9199340865
- Component type: Main
-
1
MCULE-5646000632
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5557778917.sdf |
SMILES | MCULE-5557778917.smiles |
Standard InChI | MCULE-5557778917.inchi |
InChIKey | MCULE-5557778917.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-675271928 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-617970804 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-617782905 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 110 mg |
P-502485925 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
P-503491788 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
P-867414706 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-675257137 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
P-675271891 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
P-502485953 | Innovapharm | Virtual Building Blocks | 95 | Main component as a main component | by synthesis |
P-675527662 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
P-675527664 | Innovapharm | Virtual Screening Compounds | 90 | Main component as a main component | by synthesis |
P-675488033 | Innovapharm | Building Blocks | 95 | Main component as a main component | in stock |
P-617805906 | InterBioScreen | Building Blocks | 90 | Main component as a main component | in stock |
P-617817429 | InterBioScreen | Screening Compounds | 92 | Main component as a main component | 300 mg |
P-31142806 | LaboTest | Screening Collection | 90 | Main component as a main component | 500 mg |
P-895344208 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
P-674717905 | Pharmeks LLC | Building Blocks | 92 | Main component as a main component | in stock |
P-675098926 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
P-885529275 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component as a main component | by synthesis |
P-617724754 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | Main component as a main component | 1000 mg |
P-617776339 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 1000 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 242.390 |
logP | 1.3941 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 77.85 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 60.7858 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 14 |
Heteroatoms | 7 |
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 |