MCULE-4836772626
- 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 | 70 USD | 90 | 22 working days | Get Quote |
5 mg | 102 USD | 90 | 22 working days | Get Quote |
10 mg | 184 USD | 90 | 17 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-4836772626.sdf |
SMILES | MCULE-4836772626.smiles |
Standard InChI | MCULE-4836772626.inchi |
InChIKey | MCULE-4836772626.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886298726 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-596439580 | Asinex | General screening catalog | 90 | As is | 35 mg |
P-7057101 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
P-502694886 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-503246749 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-14221159 | Life Chemicals | Screening Compounds | 90 | As is | 53 mg |
P-626475282 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-33809490 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-873072281 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 268.334 |
logP | 2.8483 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 83.65 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 70.1824 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 16 |
Heteroatoms | 6 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |