MCULE-7740906422-2
- 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 | 65 USD | 95 | 25 working days | Get Quote |
5 mg | 65 USD | 95 | 25 working days | Get Quote |
10 mg | 65 USD | 95 | 25 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.
-
MCULE-1309433910-1
- Component type: Main
-
MCULE-1830501501-1
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7740906422-2.sdf |
SMILES | MCULE-7740906422-2.smiles |
Standard InChI | MCULE-7740906422-2.inchi |
InChIKey | MCULE-7740906422-2.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-889390236 | FluoroChem | General BB | 95 | As a main component | in stock |
P-854934956 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-611363867 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 388.905 |
logP | 2.7378 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 60.36 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 58.9678 |
Atoms | 15 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 3 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |