MCULE-2272609965-0
- 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 | 189 USD | N/A | 22 working days | Get Quote |
5 mg | 189 USD | N/A | 22 working days | Get Quote |
10 mg | 189 USD | N/A | 22 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-1318301108-0
- Component type: Main
-
1
MCULE-6152801555-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2272609965-0.sdf |
SMILES | MCULE-2272609965-0.smiles |
Standard InChI | MCULE-2272609965-0.inchi |
InChIKey | MCULE-2272609965-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-875861029 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869316464 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-869079841 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-867682954 | A2B Chem | Predominantly Building Block in stock | 96 | Main component as a main component | in stock |
P-867683020 | A2B Chem | Predominantly Building Block in stock | 95 | Main component as a main component | in stock |
P-867683343 | A2B Chem | Predominantly Building Block in stock | N/A | Main component as a main component | in stock |
P-875755419 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-875860413 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-875860668 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-875860566 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-875860657 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-875861028 | AA Blocks | AA Blocks - in stock | N/A | Main component as a main component | in stock |
P-869321813 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-869369576 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-869339734 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-869260517 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-869234048 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
P-869254112 | AK Scientific | Building Blocks | 95 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 462.320 |
logP | 3.6643 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 13.14 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 122.373 |
Atoms | 46 |
Rings | 5 |
Heavy atoms | 27 |
Hydrogen atoms | 19 |
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 |