MCULE-8945765616-0
- 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 | 25 USD | 95 | 22 working days | Get Quote |
5 mg | 25 USD | 95 | 22 working days | Get Quote |
10 mg | 25 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.
-
1
MCULE-5551081285-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8945765616-0.sdf |
SMILES | MCULE-8945765616-0.smiles |
Standard InChI | MCULE-8945765616-0.inchi |
InChIKey | MCULE-8945765616-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-851833974 | AmBeed | On request | N/A | As is | by synthesis |
P-892495371 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-591122028 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-852402068 | Matrix Scientific | All | N/A | As is | in stock |
P-895847814 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-873216021 | TimTec | Building Block Collection | 90 | As is | in stock |
P-867570093 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-875730362 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-590356895 | AK Scientific | Building Blocks | 97 | Main component | in stock |
P-893554582 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 215.66 g |
P-851937484 | AmBeed | In stock | N/A | Main component | in stock |
P-489184131 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | Main component | in stock |
P-865907957 | Angene | Building Blocks in stock | 95 | Main component | 40 g |
P-596516682 | Asinex | General bb catalog | 90 | Main component | unavailable |
P-889457907 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-893262774 | Biosynth | Synthesis | 95 | Main component | by synthesis |
P-580388773 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
P-861935958 | FluoroChem | General BB | 99 | Main component | in stock |
P-588709713 | Key Organics | Building Blocks | 97 | Main component | unavailable |
P-856021723 | LaboTest | Screening Collection | 90 | Main component | unavailable |
P-900010783 | MedChemExpress | Building Blocks in stock | 95 | Main component | in stock |
P-500408989 | Pi Chemicals | Virtual Compounds | 97 | Main component | by synthesis |
P-889873771 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-893995243 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 269.748 |
logP | 4.5656 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 68.54 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 69.7494 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |