MCULE-4378922647
- 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 | 95 | 15 working days | Get Quote |
5 mg | 33 USD | 95 | 15 working days | Get Quote |
10 mg | 33 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.
-
MCULE-6646243363
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4378922647.sdf |
SMILES | MCULE-4378922647.smiles |
Standard InChI | MCULE-4378922647.inchi |
InChIKey | MCULE-4378922647.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860642917 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894619228 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893583989 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 14.5 g |
P-851566390 | AmBeed | On request | N/A | As is | by synthesis |
P-864252858 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-854790507 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611419451 | Toronto Research | In stock | 90 | As is | in stock |
P-886928520 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867619036 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875781151 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-881661500 | AK Scientific | Building Blocks | 98 | As a main component | in stock |
P-869238827 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-872942155 | AmBeed | In stock | N/A | As a main component | in stock |
P-888817597 | Angene | Building Blocks in stock | 95 | As a main component | 3 g |
P-889555541 | AstaTech | In Stock BBs | 95 | As a main component | in stock |
P-872931069 | BLD pharm | In-stock building blocks | 95 | As a main component | 1.6 g |
P-616225529 | ChemBridge | Building Block Library | 95 | As a main component | in stock |
P-4140264 | ChemBridge | EXPRESS-Pick Collection | 90 | As a main component | 25 mg |
P-868565087 | Combi-Blocks | Building Block in stock | 95 | As a main component | in stock |
P-862057470 | FluoroChem | General BB | 95 | As a main component | in stock |
P-855948006 | Key Organics | Building Blocks | 95 | As a main component | 1000 mg |
P-895642078 | MedChemExpress | Building Blocks on demand | 95 | As a main component | by synthesis |
P-873226294 | TimTec | Building Block Collection | 90 | As a main component | in stock |
P-893797673 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
P-893783083 | eNovation Chemicals LLC | Building Block on demand | 95 | As a main component | by synthesis |
P-868525256 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 165.232 |
logP | 2.3665 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 21.26 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 50.3157 |
Atoms | 27 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 15 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |