MCULE-4253107114
- 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 | 8 USD | 97 | 20 working days | Get Quote |
5 mg | 8 USD | 97 | 20 working days | Get Quote |
10 mg | 8 USD | 97 | 20 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-4253107114.sdf |
SMILES | MCULE-4253107114.smiles |
Standard InChI | MCULE-4253107114.inchi |
InChIKey | MCULE-4253107114.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867599415 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875757061 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-890252381 | ACS Scientific | Synthesis catalog | 97 | As is | by synthesis |
P-590374498 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893576931 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 520.232 g |
P-866096415 | Advanced Chemical Intermediates (ACI) | ACI predominantly BB catalog | 95 | As is | 14 g |
P-580233556 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606846337 | AmBeed | In stock | N/A | As is | in stock |
P-489175970 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596993209 | Angene | Building Blocks in stock | 97 | As is | 21.75 g |
P-494313815 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864087749 | AstaTech | In Stock BBs | 97 | As is | in stock |
P-868646225 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-861963531 | FluoroChem | General BB | 97 | As is | in stock |
P-505529226 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-492237969 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502509105 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563453331 | Key Organics | Building Blocks | 97 | As is | 1000 mg |
P-596546273 | Key Organics | Screening Compounds and Fragments | 97 | As is | 100 mg |
P-615646951 | LabNetwork | In stock | 95 | As is | in stock |
P-852453042 | Matrix Scientific | All | N/A | As is | in stock |
P-872525193 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-889879388 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502363022 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611374001 | Toronto Research | In stock | 90 | As is | in stock |
P-893993856 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 212.606 |
logP | 2.6145 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 2 |
PSA | 38.92 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 49.454 |
Atoms | 20 |
Rings | 2 |
Heavy atoms | 14 |
Hydrogen atoms | 6 |
Heteroatoms | 5 |
N/O atoms | 3 |
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 |