MCULE-7728868981-0
- 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 | 33 USD | 90 | 19 working days | Get Quote |
5 mg | 49 USD | 90 | 19 working days | Get Quote |
10 mg | 63 USD | 90 | 19 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-7825497955-1
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7728868981-0.sdf |
SMILES | MCULE-7728868981-0.smiles |
Standard InChI | MCULE-7728868981-0.inchi |
InChIKey | MCULE-7728868981-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886629485 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889935084 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-612934871 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851619788 | AmBeed | On request | N/A | As is | by synthesis |
P-596497804 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596457268 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-889816099 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590954452 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861556554 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-502480131 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563676894 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-613277092 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852388956 | Matrix Scientific | All | N/A | As is | in stock |
P-854851405 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492284958 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 13.245 g |
P-12915786 | Otava | In-House Stock Library | 90 | As is | 13.245 g |
P-885516861 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-454247700 | Specs | Screening Compounds | 90 | As is | 5 mg |
P-502390306 | TimTec | Building Block Collection | 90 | As is | in stock |
P-33179697 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 3 mg |
P-611608787 | Toronto Research | In stock | 90 | As is | in stock |
P-893736619 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-675475650 | Innovapharm | Screening Compounds | 90 | As a main component | in stock |
P-488548283 | InterBioScreen | Building Blocks | 90 | As a main component | in stock |
P-24372722 | InterBioScreen | Screening Compounds | 92 | As a main component | 300 mg |
P-492284980 | Otava | Chemical Building Blocks for Prompt Delivery | 90 | As a main component | 956 mg |
P-26526276 | Otava | In-House Stock Library | 90 | As a main component | 956 mg |
P-454367341 | Pharmeks LLC | Building Blocks | 92 | As a main component | in stock |
P-617773418 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As a main component | 120 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 225.356 |
logP | 1.5714 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 60.74 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 72.3424 |
Atoms | 34 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |