MCULE-8216589524
- 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 | 95 USD | 90 | 18 working days | Get Quote |
5 mg | 112 USD | 90 | 18 working days | Get Quote |
10 mg | 125 USD | 90 | 18 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-3042424640
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8216589524.sdf |
SMILES | MCULE-8216589524.smiles |
Standard InChI | MCULE-8216589524.inchi |
InChIKey | MCULE-8216589524.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886734073 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-890032949 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-869229771 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893452000 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 4.201 g |
P-887075316 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-862130311 | FluoroChem | General BB | 95 | As is | in stock |
P-467932533 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-601044443 | Life Chemicals | Screening Compounds | 90 | As is | 193 mg |
P-895279710 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-855250719 | Toronto Research | In stock | 90 | As is | in stock |
P-893719839 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867410371 | A2B Chem | Predominantly Building Block on demand | 70 | Main component | by synthesis |
P-894656062 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-851849039 | AmBeed | On request | N/A | Main component | by synthesis |
P-611150799 | BLD pharm | Non-stock building blocks | 95 | Main component | by synthesis |
P-887465418 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
P-613280224 | Life Chemicals | Building Blocks - virtual | 95 | Main component | by synthesis |
P-854881720 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-555288128 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-611561135 | Toronto Research | In stock | 90 | Main component | in stock |
P-899958883 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 205.081 |
logP | 2.6961 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 38.91 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 53.6164 |
Atoms | 22 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 10 |
Heteroatoms | 4 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |