MCULE-7881467420
- 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 | 17 working days | Get Quote |
5 mg | 36 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.
-
MCULE-2776911370
- Component type: Main
Name | File |
---|---|
SDF | MCULE-7881467420.sdf |
SMILES | MCULE-7881467420.smiles |
Standard InChI | MCULE-7881467420.inchi |
InChIKey | MCULE-7881467420.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892980031 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-517107050 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-596439991 | Asinex | General screening catalog | 90 | As is | 15 mg |
P-427969780 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 9 mg |
P-502802811 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-492226710 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-864055385 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-13099950 | Otava | In-House Stock Library | 90 | As is | 50 mg |
P-19184307 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491070605 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-502375062 | TimTec | Building Block Collection | 90 | As is | in stock |
P-22500609 | TimTec | ActiMol 1 Week - Stock | 90 | As is | 108 mg |
P-851533500 | AmBeed | On request | N/A | As a main component | by synthesis |
P-590823603 | BLD pharm | Non-stock building blocks | 95 | As a main component | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 202.227 |
logP | 2.9058 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 24.92 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 57.9877 |
Atoms | 26 |
Rings | 2 |
Heavy atoms | 15 |
Hydrogen atoms | 11 |
Heteroatoms | 3 |
N/O atoms | 2 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |