MCULE-8578167041
- 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 | 47 USD | 90 | 21 working days | Get Quote |
5 mg | 75 USD | 90 | 21 working days | Get Quote |
10 mg | 90 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-8578167041.sdf |
SMILES | MCULE-8578167041.smiles |
Standard InChI | MCULE-8578167041.inchi |
InChIKey | MCULE-8578167041.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893082589 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596322264 | Asinex | General screening catalog | 90 | As is | 145 mg |
P-427942191 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 1 mg |
P-502759818 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-12321909 | Otava | In-House Stock Library | 90 | As is | 2.941 g |
P-12368027 | Specs | Screening Compounds | 90 | As is | 255 mg |
P-22508355 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 250 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 296.185 |
logP | 4.1443 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 57.34 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 71.1992 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 16 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 2 |
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 |