MCULE-5666155561
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 52 USD | 95 | 20 working days | Get Quote |
10 mg | 52 USD | 95 | 20 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-5666155561.sdf |
SMILES | MCULE-5666155561.smiles |
Standard InChI | MCULE-5666155561.inchi |
InChIKey | MCULE-5666155561.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867572547 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875733395 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869314355 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-865908540 | Angene | Building Blocks in stock | 95 | As is | 8 g |
P-868612957 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-580444145 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-862054201 | FluoroChem | General BB | 95 | As is | in stock |
P-494300010 | Frinton Laboratories | Frinton Building Blocks | 98 | As is | in stock |
P-855915206 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-860786817 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852550419 | Matrix Scientific | All | N/A | As is | in stock |
P-854931381 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-500388497 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-23885847 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-12591626 | Specs | Screening Compounds | 90 | As is | 33 mg |
P-502332138 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611419748 | Toronto Research | In stock | 90 | As is | in stock |
P-1249632 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 224.297 |
logP | 4.0631 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 4 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 70.7375 |
Atoms | 33 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 16 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |