MCULE-6622854116
- 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 | 5 USD | 99 | 8 working days | Get Quote |
5 mg | 5 USD | 99 | 8 working days | Get Quote |
10 mg | 5 USD | 99 | 8 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-6622854116.sdf |
SMILES | MCULE-6622854116.smiles |
Standard InChI | MCULE-6622854116.inchi |
InChIKey | MCULE-6622854116.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867534817 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875689431 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-881660908 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-881673334 | AK Scientific | Building Blocks | N/A | As is | in stock |
P-606859930 | AmBeed | In stock | N/A | As is | in stock |
P-596935812 | Angene | Building Blocks in stock | 99 | As is | 525 g |
P-864206275 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-666962608 | BLD pharm | In-stock building blocks | 99 | As is | 125 g |
P-893230752 | Biosynth | In Stock | 95 | As is | in stock |
P-851278655 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-868614935 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-889110153 | FluoroChem | In Stock BB | 97 | As is | 50 g |
P-608220971 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-855983083 | Key Organics | Building Blocks | 97 | As is | 24.997 g |
P-856008491 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-856041200 | LaboTest | Building Blocks | 90 | As is | 10 g |
P-31275378 | LaboTest | Screening Collection | 90 | As is | 10 g |
P-901028375 | MedChemExpress | Screening compounds on demand | 95 | As is | by synthesis |
P-854721688 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-584626792 | MedKoo | In stock compounds | 95 | As is | in stock |
P-608269668 | Molnova | Stock | 98 | As is | in stock |
P-885542429 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-579711930 | Selleckchem | Product Catalog | N/A | As is | in stock |
P-464624887 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892286703 | TargetMol | In Stock BB | 95 | As is | 1.001 g |
P-888627090 | TargetMol | Screening Compounds - stock amount | 95 | As is | 1.001 g |
P-502368593 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611505496 | Toronto Research | In stock | 90 | As is | in stock |
P-893991676 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 218.203 |
logP | 0.0443 |
H-bond acceptors | 6 |
H-bond donors | 0 |
Rotatable bonds | 8 |
PSA | 78.9 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 49.232 |
Atoms | 29 |
Rings | 0 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
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 |