MCULE-5535008514
- 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.
-
1
MCULE-3161062012
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5535008514.sdf |
SMILES | MCULE-5535008514.smiles |
Standard InChI | MCULE-5535008514.inchi |
InChIKey | MCULE-5535008514.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4313501 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-867623750 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-590419161 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-517095238 | Alinda | Stock Screening Compounds | 90 | Main component | in stock |
P-851744346 | AmBeed | On request | N/A | Main component | by synthesis |
P-3347055 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 37 mg |
P-502595858 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
P-502808227 | Innovapharm | Screening Compounds | 90 | Main component | in stock |
P-502468631 | Innovapharm | Virtual Building Blocks | 95 | Main component | by synthesis |
P-503136886 | Innovapharm | Virtual Screening Compounds | 90 | Main component | by synthesis |
P-12493397 | InterBioScreen | Screening Compounds | 92 | Main component | 300 mg |
P-454380599 | Key Organics | Building Blocks | 95 | Main component | 37.288 g |
P-18717851 | Key Organics | Screening Compounds and Fragments | 95 | Main component | 37.288 g |
P-35166574 | Maybridge | Screening Collection | 90 | Main component | 18.122 kg |
P-12958812 | Otava | In-House Stock Library | 90 | Main component | 50 mg |
P-18834854 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-502326862 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-873215388 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-22442884 | TimTec | ActiMol 1 Week - Stock | 90 | Main component | 1000 mg |
P-1848163 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 214 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 258.772 |
logP | 2.8129 |
H-bond acceptors | 4 |
H-bond donors | 2 |
Rotatable bonds | 4 |
PSA | 85.74 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 74.3721 |
Atoms | 31 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 15 |
Heteroatoms | 6 |
N/O atoms | 4 |
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 | 1 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 1 |
Undefined stereo double bonds | 0 |