MCULE-6987470157
- 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-5067176191
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6987470157.sdf |
SMILES | MCULE-6987470157.smiles |
Standard InChI | MCULE-6987470157.inchi |
InChIKey | MCULE-6987470157.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872825220 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875688859 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-868821764 | AmBeed | In stock | N/A | As is | in stock |
P-888812887 | Angene | Building Blocks in stock | 95 | As is | 750 mg |
P-889790375 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-889732902 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-886970147 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-666900064 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component as a main component | 5 mg |
P-630640714 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
P-622930715 | Otava | Tangible screening compounds | 90 | Main component as a main component | by synthesis |
P-18930059 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component as a main component | in stock |
P-447418 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component as a main component | 330 mg |
Property | Value |
---|---|
Components | 3 |
Mass | 441.345 |
logP | -2.0678 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 5 |
PSA | 26.22 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 123.9 |
Atoms | 52 |
Rings | 4 |
Heavy atoms | 30 |
Hydrogen atoms | 22 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |