MCULE-7114315105
- 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 | 46 USD | 90 | 21 working days | Get Quote |
5 mg | 74 USD | 90 | 21 working days | Get Quote |
10 mg | 89 USD | 90 | 21 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-7114315105.sdf |
SMILES | MCULE-7114315105.smiles |
Standard InChI | MCULE-7114315105.inchi |
InChIKey | MCULE-7114315105.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860631049 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-889929591 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-894626201 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851523558 | AmBeed | On request | N/A | As is | by synthesis |
P-889826816 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590790612 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-4737408 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 10 mg |
P-619931184 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-3984018 | ChemDiv | Discovery Chemistry Library | 90 | As is | 71 mg |
P-492214936 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502459847 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503086088 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-502613468 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-854845212 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-12356172 | Otava | In-House Stock Library | 90 | As is | 68 mg |
P-856970720 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33461319 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502350930 | TimTec | Building Block Collection | 90 | As is | in stock |
P-855229124 | Toronto Research | In stock | 90 | As is | in stock |
P-893881292 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 269.341 |
logP | 3.0485 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 38.13 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 83.3665 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 20 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |