MCULE-2768943163
- 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 | 36 USD | 90 | 21 working days | Get Quote |
5 mg | 36 USD | 90 | 21 working days | Get Quote |
10 mg | 41 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-2768943163.sdf |
SMILES | MCULE-2768943163.smiles |
Standard InChI | MCULE-2768943163.inchi |
InChIKey | MCULE-2768943163.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-674980090 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-894655645 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851516730 | AmBeed | On request | N/A | As is | by synthesis |
P-595588496 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-596482271 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-590783972 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-9873742 | ChemDiv | Discovery Chemistry Library | 90 | As is | 66 mg |
P-139829 | Chemical Block | Screening Library | 90 | As is | 376 mg |
P-34885190 | Chemical Intelligence Co Limited | Stock Screening Compounds | 90 | As is | in stock |
P-34818187 | Crea-Chim | HTS compounds | 90 | As is | unavailable |
P-889111948 | FluoroChem | In Stock BB | N/A | As is | 2.1 g |
P-503871062 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-852380811 | Matrix Scientific | All | N/A | As is | in stock |
P-864053333 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-19630557 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502331619 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22482456 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 218 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 253.319 |
logP | 2.2023 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 83.86 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 71.0935 |
Atoms | 32 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 15 |
Heteroatoms | 5 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |