MCULE-2179445632-0
- 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 | 26 USD | 98 | 20 working days | Get Quote |
5 mg | 26 USD | 98 | 20 working days | Get Quote |
10 mg | 26 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.
-
1
MCULE-2746019379-0
- Component type: Counter Ion
-
1
MCULE-1379281060-1
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-2179445632-0.sdf |
SMILES | MCULE-2179445632-0.smiles |
Standard InChI | MCULE-2179445632-0.inchi |
InChIKey | MCULE-2179445632-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867667940 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-890166866 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-892191942 | Angene | Building Blocks in stock | 98 | As is | 50 g |
P-896031377 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-899783268 | Key Organics | Building Blocks | 97 | As is | 250 mg |
P-611339101 | Toronto Research | In stock | 90 | As is | in stock |
P-894000019 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 118.872 |
logP | 0.1581 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 27.64 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 21.0721 |
Atoms | 13 |
Rings | 0 |
Heavy atoms | 7 |
Hydrogen atoms | 6 |
Heteroatoms | 6 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 |