MCULE-7040368692
- 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 | 50 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-9220398025
- Component type: Main
-
1
MCULE-6124492894
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-7040368692.sdf |
SMILES | MCULE-7040368692.smiles |
Standard InChI | MCULE-7040368692.inchi |
InChIKey | MCULE-7040368692.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-591323411 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-18826274 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-4196731 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 5 mg |
P-34539317 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
P-12426294 | InterBioScreen | Screening Compounds | 92 | Main component | 25 mg |
P-424426874 | Otava | In-House Stock Library | 90 | Main component | 110 mg |
P-18862614 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-22719521 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-25626628 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 10 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 357.269 |
logP | 5.6879 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 45.54 |
RO5 violations | 1 |
RO3 violations | 2 |
Refractivity | 93.98 |
Atoms | 34 |
Rings | 4 |
Heavy atoms | 21 |
Hydrogen atoms | 13 |
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 |