MCULE-4774414424
- 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 | 49 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.
Name | File |
---|---|
SDF | MCULE-4774414424.sdf |
SMILES | MCULE-4774414424.smiles |
Standard InChI | MCULE-4774414424.inchi |
InChIKey | MCULE-4774414424.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886079660 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-492230403 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502911182 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-13447505 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-14327092 | Life Chemicals | Screening Compounds | 90 | As is | 37 mg |
P-13590308 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-519912722 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491106310 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33976309 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-502389671 | TimTec | Building Block Collection | 90 | As is | in stock |
P-1730386 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 124 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 387.391 |
logP | 2.7531 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 86.58 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 109.293 |
Atoms | 46 |
Rings | 5 |
Heavy atoms | 29 |
Hydrogen atoms | 17 |
Heteroatoms | 8 |
N/O atoms | 8 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |