MCULE-8840169234-2
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 71 USD | 90 | 21 working days | Get Quote |
10 mg | 85 USD | 90 | 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-2368942907-0
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-8840169234-2.sdf |
SMILES | MCULE-8840169234-2.smiles |
Standard InChI | MCULE-8840169234-2.inchi |
InChIKey | MCULE-8840169234-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-502745309 | Innovapharm | Screening Compounds | 90 | As a component | in stock |
P-674789722 | Otava | In-House Stock Library | 90 | As a component | 173 mg |
P-674953605 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As a component | 173 mg |
P-33887597 | TimTec | ActiMol 6 Week | 90 | As a component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 132.189 |
logP | -0.4017 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 0 |
PSA | 54.73 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 35.531 |
Atoms | 9 |
Rings | 1 |
Heavy atoms | 7 |
Hydrogen atoms | 2 |
Heteroatoms | 4 |
N/O atoms | 2 |
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 |