MCULE-5365734027-0
- 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 | 48 USD | 95 | 37 working days | Get Quote |
5 mg | 77 USD | 95 | 37 working days | Get Quote |
10 mg | 106 USD | 90 | 20 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-2449256469-0
- Component type: Main
-
1
MCULE-3549142744-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5365734027-0.sdf |
SMILES | MCULE-5365734027-0.smiles |
Standard InChI | MCULE-5365734027-0.inchi |
InChIKey | MCULE-5365734027-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-489183243 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-892866835 | A2B Chem | Predominantly Building Block in stock | 99 | Main component | in stock |
P-890162456 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-895102764 | Angene | Building Blocks in stock | 99 | Main component | 100 mg |
P-873244097 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
P-856027877 | LaboTest | Screening Collection | 90 | Main component | 100 mg |
P-868744429 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
P-892255219 | TargetMol | Screening Compounds - synthesis | 95 | Main component | by synthesis |
P-892339619 | TargetMol | Screening Compounds - stock amount | 95 | Main component | unavailable |
P-893750814 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
P-892906479 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-867503405 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-874626771 | AK Scientific | Building Blocks | 98 | Main component as a main component | in stock |
P-855915939 | Key Organics | Building Blocks | 97 | Main component as a main component | 5 g |
P-611420428 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
P-611469388 | Toronto Research | In stock | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 444.545 |
logP | 4.2724 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 7 |
PSA | 115.61 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 125.7796 |
Atoms | 59 |
Rings | 3 |
Heavy atoms | 31 |
Hydrogen atoms | 28 |
Heteroatoms | 8 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 1 |
Cis/trans stereo double bonds | 1 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |