MCULE-4165562841-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 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-4165562841-0.sdf |
SMILES | MCULE-4165562841-0.smiles |
Standard InChI | MCULE-4165562841-0.inchi |
InChIKey | MCULE-4165562841-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867534831 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875689450 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590371934 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893584036 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.9 g |
P-19914179 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436451334 | Alinda | Building Blocks | 95 | As is | in stock |
P-851507184 | AmBeed | On request | N/A | As is | by synthesis |
P-873294127 | Angene | Building Blocks in stock | 99 | As is | 7 g |
P-896028872 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-590875289 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-492254427 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-4147245 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-619934297 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-15156775 | ChemDiv | Discovery Chemistry Library | 90 | As is | 7 mg |
P-436444630 | Chemical Block | Building Blocks | 90 | As is | 20 g |
P-350466 | Chemical Block | Screening Library | 90 | As is | 262 mg |
P-861527896 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-34732378 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-862040189 | FluoroChem | General BB | 95 | As is | in stock |
P-855971275 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852405670 | Matrix Scientific | All | N/A | As is | in stock |
P-854909008 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23885406 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-22627678 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502341298 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888580348 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611459490 | Toronto Research | In stock | 90 | As is | in stock |
P-872756942 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 162.188 |
logP | 2.12038 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 59.04 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 46.8604 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 10 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |