MCULE-6531856104
- 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-2076044970
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6531856104.sdf |
SMILES | MCULE-6531856104.smiles |
Standard InChI | MCULE-6531856104.inchi |
InChIKey | MCULE-6531856104.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-617325331 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-488554052 | InterBioScreen | Building Blocks | 90 | As is | in stock |
P-24458822 | InterBioScreen | Screening Compounds | 92 | As is | 300 mg |
P-854929334 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-454374595 | Pharmeks LLC | Building Blocks | 92 | As is | in stock |
P-23802924 | Pharmeks LLC | Synthetic compounds | 92 | As is | 300 mg |
P-873229075 | TimTec | Building Block Collection | 90 | As is | in stock |
P-852155641 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-577174152 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
P-861346742 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-596597468 | Key Organics | Building Blocks | 90 | Main component | 500 mg |
P-852591514 | Matrix Scientific | All | N/A | Main component | in stock |
P-579267464 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-856106974 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-24817774 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 110 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 254.754 |
logP | 3.1449 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 46.33 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 76.5164 |
Atoms | 36 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 19 |
Heteroatoms | 4 |
N/O atoms | 3 |
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 |