MCULE-9417956218
- 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 | 30 USD | 97 | 20 working days | Get Quote |
5 mg | 30 USD | 97 | 20 working days | Get Quote |
10 mg | 30 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-9417956218.sdf |
SMILES | MCULE-9417956218.smiles |
Standard InChI | MCULE-9417956218.inchi |
InChIKey | MCULE-9417956218.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867633264 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875797575 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869190923 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-588245611 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-606931481 | AmBeed | In stock | N/A | As is | in stock |
P-596989895 | Angene | Building Blocks in stock | 97 | As is | 25 g |
P-864091731 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-861317362 | BLD pharm | In-stock building blocks | 98 | As is | 1.165 g |
P-4524037 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-4767160 | ChemDiv | Discovery Chemistry Library | 90 | As is | 12 mg |
P-23591 | Chemical Block | Screening Library | 90 | As is | 31 mg |
P-868641017 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-34658949 | Crea-Chim | HTS compounds | 90 | As is | by resynthesis (? - ? days) |
P-492215326 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502695905 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502453294 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563692340 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-615652822 | LabNetwork | In stock | 95 | As is | in stock |
P-131657790 | Life Chemicals | Screening Compounds | 90 | As is | 517 mg |
P-854768727 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12394816 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-19025685 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-889862367 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33443067 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502329796 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611434434 | Toronto Research | In stock | 90 | As is | in stock |
P-1812312 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 117 mg |
P-615406481 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 262.305 |
logP | 3.6602 |
H-bond acceptors | 3 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 34.89 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 79.3535 |
Atoms | 34 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 14 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |