MCULE-5721002485
- 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 | 15 USD | 95 | 15 working days | Get Quote |
5 mg | 15 USD | 95 | 15 working days | Get Quote |
10 mg | 15 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-5721002485.sdf |
SMILES | MCULE-5721002485.smiles |
Standard InChI | MCULE-5721002485.inchi |
InChIKey | MCULE-5721002485.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867641336 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875807289 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615729985 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893600192 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 55 g |
P-580210128 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851924743 | AmBeed | In stock | N/A | As is | in stock |
P-865922370 | Angene | Building Blocks in stock | 95 | As is | 30 g |
P-864203153 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-617432692 | BLD pharm | In-stock building blocks | 95 | As is | 300 mg |
P-577088919 | Chemcia | Virtual compounds | 95 | As is | by synthesis |
P-870582198 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-889302483 | FluoroChem | General BB | N/A | As is | in stock |
P-454416295 | Key Organics | Building Blocks | 95 | As is | 13.625 g |
P-18819462 | Key Organics | Screening Compounds and Fragments | 95 | As is | 13.625 g |
P-852426961 | Matrix Scientific | All | N/A | As is | in stock |
P-895223731 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-888843492 | PharmaBlock | On demand | N/A | As is | by synthesis |
P-667023712 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 182.176 |
logP | 1.725 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 78.08 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 50.6975 |
Atoms | 23 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 10 |
Heteroatoms | 5 |
N/O atoms | 5 |
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 |