MCULE-4598584924
- 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 | 28 USD | 95 | 22 working days | Get Quote |
5 mg | 28 USD | 95 | 22 working days | Get Quote |
10 mg | 28 USD | 95 | 22 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-4598584924.sdf |
SMILES | MCULE-4598584924.smiles |
Standard InChI | MCULE-4598584924.inchi |
InChIKey | MCULE-4598584924.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867578291 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875737670 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869228175 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-903068024 | Aaron Chemicals LLC | Predominantly Building Block | 95 | As is | 4.75 g |
P-893564326 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 6.75 g |
P-872944395 | AmBeed | On request | N/A | As is | by synthesis |
P-596931062 | Angene | Building Blocks in stock | 95 | As is | 4.75 g |
P-864152552 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-605403381 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-901418817 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851305885 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868629915 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-502566226 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-524201556 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-863855325 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-888880169 | PharmaBlock | In stock | N/A | As is | in stock |
P-873285820 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-855213125 | Toronto Research | In stock | 90 | As is | in stock |
P-615451959 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 233.219 |
logP | 0.6241 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 74.68 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 62.6923 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 11 |
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 |