MCULE-2072171889
- 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 | 109 USD | 90 | 20 working days | Get Quote |
5 mg | 109 USD | 90 | 20 working days | Get Quote |
10 mg | 109 USD | 90 | 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-3434021887
- Component type: Main
-
1
MCULE-6152801555
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2072171889.sdf |
SMILES | MCULE-2072171889.smiles |
Standard InChI | MCULE-2072171889.inchi |
InChIKey | MCULE-2072171889.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893168417 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-867408314 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-890838657 | ACS Scientific | In stock catalog | 97 | Main component as a main component | in stock |
P-611622270 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-895168745 | AmBeed | In stock | N/A | Main component as a main component | in stock |
P-890230538 | BLD pharm | Non-stock building blocks | 98 | Main component as a main component | by synthesis |
P-31249851 | LaboTest | Screening Collection | 90 | Main component as a main component | 30 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 247.076 |
logP | -1.8419 |
H-bond acceptors | 0 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 3.88 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 54.144 |
Atoms | 20 |
Rings | 1 |
Heavy atoms | 10 |
Hydrogen atoms | 10 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |