MCULE-1773972639
- 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 | 44 USD | 90 | 21 working days | Get Quote |
5 mg | 71 USD | 90 | 21 working days | Get Quote |
10 mg | 86 USD | 90 | 21 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.
Name | File |
---|---|
SDF | MCULE-1773972639.sdf |
SMILES | MCULE-1773972639.smiles |
Standard InChI | MCULE-1773972639.inchi |
InChIKey | MCULE-1773972639.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-3496698 | ChemDiv | Discovery Chemistry Library | 90 | As is | 177 mg |
P-502764056 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12338215 | Otava | In-House Stock Library | 90 | As is | 1.15 g |
P-12503351 | Specs | Screening Compounds | 90 | As is | 41 mg |
P-23334472 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 352.208 |
logP | 4.8855 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 7 |
PSA | 55.4 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 91.5697 |
Atoms | 38 |
Rings | 2 |
Heavy atoms | 23 |
Hydrogen atoms | 15 |
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 |