MCULE-5705458741
- 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 | 35 USD | 90 | 17 working days | Get Quote |
10 mg | 41 USD | 90 | 17 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-5705458741.sdf |
SMILES | MCULE-5705458741.smiles |
Standard InChI | MCULE-5705458741.inchi |
InChIKey | MCULE-5705458741.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867306476 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889928504 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-19996965 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-436471830 | Alinda | Building Blocks | 95 | As is | in stock |
P-851500842 | AmBeed | On request | N/A | As is | by synthesis |
P-869990639 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590954869 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-454727616 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-619832137 | ChemDiv | Discovery Chemistry Library | 90 | As is | 2 mg |
P-34764364 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-563692414 | Key Organics | Building Blocks | 95 | As is | 50 mg |
P-852380862 | Matrix Scientific | All | N/A | As is | in stock |
P-864023256 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-492277350 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.788 g |
P-26407783 | Otava | In-House Stock Library | 90 | As is | 2.788 g |
P-19573897 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-453970883 | Specs | Screening Compounds | 90 | As is | 14 mg |
P-502327195 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22464099 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 466 mg |
P-855227526 | Toronto Research | In stock | 90 | As is | in stock |
P-1452529 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 1.133 g |
Property | Value |
---|---|
Components | 1 |
Mass | 264.320 |
logP | 0.1591 |
H-bond acceptors | 5 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 60.85 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 78.1898 |
Atoms | 39 |
Rings | 3 |
Heavy atoms | 19 |
Hydrogen atoms | 20 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 4 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 4 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |