MCULE-4865132613
- 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 | 4 USD | 99 | 16 working days | Get Quote |
5 mg | 4 USD | 99 | 16 working days | Get Quote |
10 mg | 4 USD | 99 | 16 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.
-
MCULE-6327538024
- Component type: Main
-
MCULE-4531953992
- Component type: Main
Name | File |
---|---|
SDF | MCULE-4865132613.sdf |
SMILES | MCULE-4865132613.smiles |
Standard InChI | MCULE-4865132613.inchi |
InChIKey | MCULE-4865132613.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867561210 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875721531 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-869181439 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505399187 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-869227428 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-580241240 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-606934899 | AmBeed | In stock | N/A | As is | in stock |
P-489120828 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596927833 | Angene | Building Blocks in stock | 99 | As is | 10 kg |
P-887314659 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-861919888 | FluoroChem | All BB | 99 | As is | in stock |
P-608220444 | Glentham Life Sciences | Compounds maintained in stock | 99 | As is | in stock |
P-608219067 | Glentham Life Sciences | Compounds typically in stock | 99 | As is | in stock |
P-580093572 | Iris Biotech GmbH | Building Block Library | N/A | As is | in stock |
P-579618559 | LabSeeker, Inc | Stock Collection | 95 | As is | in stock |
P-856040577 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-31250570 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-601053622 | Life Chemicals | Screening Compounds | 90 | As is | 47.991 g |
P-468069319 | Life Chemicals | Building Blocks | 95 | As is | 47.991 g |
P-580512469 | Manchester Organics | Stock compounds | 97 | As is | in stock |
P-852376017 | Matrix Scientific | All | N/A | As is | in stock |
P-885550649 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502366822 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611349896 | Toronto Research | In stock | 90 | As is | in stock |
P-611523258 | Toronto Research | In stock | 90 | As is | in stock |
P-872827609 | A2B Chem | Predominantly Building Block in stock | 97 | As a main component | in stock |
P-867608199 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875753346 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
P-875767004 | AA Blocks | AA Blocks | N/A | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 168.038 |
logP | 1.4719 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 20.23 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 18.0788 |
Atoms | 12 |
Rings | 0 |
Heavy atoms | 10 |
Hydrogen atoms | 2 |
Heteroatoms | 7 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 6 |
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 |