MCULE-5428502537
- 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 | 10 USD | 98 | 20 working days | Get Quote |
5 mg | 10 USD | 98 | 20 working days | Get Quote |
10 mg | 10 USD | 98 | 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-5428502537.sdf |
SMILES | MCULE-5428502537.smiles |
Standard InChI | MCULE-5428502537.inchi |
InChIKey | MCULE-5428502537.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867577044 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875736511 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-881672272 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-505392579 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-517093859 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-606884666 | AmBeed | In stock | N/A | As is | in stock |
P-596951230 | Angene | Building Blocks in stock | 98 | As is | 100 g |
P-864161109 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868601779 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-580302195 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-861920416 | FluoroChem | General BB | 98 | As is | in stock |
P-890223385 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-873257909 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 50 g |
P-488550582 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-524165694 | Key Organics | Building Blocks | 98 | As is | 100 g |
P-613281469 | Life Chemicals | Building Blocks - virtual | 95 | As is | by synthesis |
P-852510936 | Matrix Scientific | All | N/A | As is | in stock |
P-620224657 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1000 mg |
P-26434080 | Otava | In-House Stock Library | 90 | As is | 1000 mg |
P-454368910 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-34192580 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-885523929 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873224657 | TimTec | Building Block Collection | 90 | As is | in stock |
P-888592408 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-611445689 | Toronto Research | In stock | 90 | As is | in stock |
P-3026324 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1000 mg |
P-3228235 | VITAS M CHEMICAL LIMITED | Organic Building Blocks | 90 | As is | 1000 mg |
P-615412653 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 195.054 |
logP | 2.0247 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 37.3 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 40.5978 |
Atoms | 20 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |