MCULE-5558085772-0
- 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 | 35 USD | 90 | 17 working days | Get Quote |
5 mg | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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.
-
1
MCULE-3669682522-0
- Component type: Main
-
1
MCULE-6647815245-2
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5558085772-0.sdf |
SMILES | MCULE-5558085772-0.smiles |
Standard InChI | MCULE-5558085772-0.inchi |
InChIKey | MCULE-5558085772-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892486311 | Asinex | General screening catalog | 90 | As is | unavailable |
P-888436078 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-886770164 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-890191442 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-894650871 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-893580624 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 75.247 g |
P-19846575 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
P-891645478 | AmBeed | In stock | N/A | Main component | in stock |
P-888833211 | Angene | Building Blocks in stock | 97 | Main component | 11 g |
P-895953590 | Apollo Scientific | On request | 95 | Main component | by resynthesis (? - ? days) |
P-889586430 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-892413406 | BLD pharm | In-stock building blocks | 97 | Main component | unavailable |
P-887171709 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-889341853 | FluoroChem | General BB | 97 | Main component | in stock |
P-863715886 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
P-630779799 | Otava | Tangible screening compounds | 90 | Main component | by synthesis |
P-888878430 | PharmaBlock | In stock | N/A | Main component | in stock |
P-23873481 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-893999508 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 309.318 |
logP | 0.5703 |
H-bond acceptors | 8 |
H-bond donors | 3 |
Rotatable bonds | 4 |
PSA | 110.18 |
RO5 violations | 0 |
RO3 violations | 4 |
Refractivity | 87.1513 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 22 |
Hydrogen atoms | 19 |
Heteroatoms | 8 |
N/O atoms | 8 |
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 |