MCULE-5492203600-0
- 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 | 85 USD | 95 | 28 working days | Get Quote |
5 mg | 85 USD | 95 | 28 working days | Get Quote |
10 mg | 85 USD | 95 | 28 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-5492203600-0.sdf |
SMILES | MCULE-5492203600-0.smiles |
Standard InChI | MCULE-5492203600-0.inchi |
InChIKey | MCULE-5492203600-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867467394 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851574373 | AmBeed | On request | N/A | As is | by synthesis |
P-481174218 | Atlantic Research Chemicals Ltd | In-stock Building Blocks | 95 | As is | 11.5 g |
P-590849285 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-6050462 | ChemDiv | Discovery Chemistry Library | 90 | As is | unavailable |
P-887079268 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-861978200 | FluoroChem | General BB | 95 | As is | in stock |
P-862258822 | KISHIDA CHEMICAL | K-BB | 95 | As is | 1.99 g |
P-579460872 | Key Organics | Building Blocks | 95 | As is | 250 mg |
P-852453838 | Matrix Scientific | All | N/A | As is | in stock |
P-872522134 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873227242 | TimTec | Building Block Collection | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 211.218 |
logP | 2.0344 |
H-bond acceptors | 6 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 79.97 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 57.8707 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 13 |
Heteroatoms | 6 |
N/O atoms | 6 |
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 |