MCULE-7063785779
- 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 | 65 USD | 95 | 15 working days | Get Quote |
5 mg | 65 USD | 95 | 15 working days | Get Quote |
10 mg | 65 USD | 95 | 15 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-7063785779.sdf |
SMILES | MCULE-7063785779.smiles |
Standard InChI | MCULE-7063785779.inchi |
InChIKey | MCULE-7063785779.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886664565 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890178217 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-613851194 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893583890 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 95 g |
P-872714270 | AmBeed | In stock | N/A | As is | in stock |
P-888825135 | Angene | Building Blocks in stock | 95 | As is | 10 g |
P-889781001 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-872718283 | BLD pharm | In-stock building blocks | 95 | As is | 5.05 g |
P-901551654 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-889728160 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-852420447 | Matrix Scientific | All | N/A | As is | in stock |
P-895615920 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888880309 | PharmaBlock | In stock | N/A | As is | in stock |
P-555287547 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611608222 | Toronto Research | In stock | 90 | As is | in stock |
P-894005452 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 224.300 |
logP | 3.4777 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 29.26 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 75.3274 |
Atoms | 33 |
Rings | 3 |
Heavy atoms | 17 |
Hydrogen atoms | 16 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |