MCULE-5433837303
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 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-2923870090
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5433837303.sdf |
SMILES | MCULE-5433837303.smiles |
Standard InChI | MCULE-5433837303.inchi |
InChIKey | MCULE-5433837303.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-617744394 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 2.141 g |
P-617720983 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 2.141 g |
P-596346528 | Asinex | General screening catalog | 90 | Main component | unavailable |
P-588250820 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
P-852601249 | Matrix Scientific | All | N/A | Main component | in stock |
P-869017212 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-22779203 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-873214345 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-855234631 | Toronto Research | In stock | 90 | Main component | in stock |
P-867412565 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-861376716 | Combi-Blocks | Building Block on demand | 95 | Main component as a main component | by synthesis |
P-895703137 | MedChemExpress | Building Blocks on demand | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 379.379 |
logP | 2.7217 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 8 |
PSA | 105.09 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 96.5243 |
Atoms | 49 |
Rings | 2 |
Heavy atoms | 27 |
Hydrogen atoms | 22 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 |