MCULE-4892089815
- 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 | 42 USD | 95 | 37 working days | Get Quote |
5 mg | 83 USD | 95 | 14 working days | Get Quote |
10 mg | 129 USD | N/A | 14 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-7037443408
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4892089815.sdf |
SMILES | MCULE-4892089815.smiles |
Standard InChI | MCULE-4892089815.inchi |
InChIKey | MCULE-4892089815.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867678168 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875855184 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-874639843 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-891646300 | AmBeed | On request | N/A | As is | by synthesis |
P-889496571 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-887189915 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854621502 | Excenen | Excenen compounds | 98 | As is | in stock |
P-873246003 | Key Organics | Building Blocks | 97 | As is | 5 mg |
P-854711612 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-872668924 | MedKoo | In stock compounds | 95 | As is | in stock |
P-888641842 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869129727 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-855054861 | Toronto Research | In stock | 90 | As is | in stock |
P-891645479 | AmBeed | In stock | N/A | Main component | in stock |
P-889496339 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-887187867 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-854621751 | Excenen | Excenen compounds | 98 | Main component | in stock |
P-873244823 | Key Organics | Building Blocks | 97 | Main component | 5 mg |
P-854720505 | MedChemExpress | Screening compounds In stock | 95 | Main component | in stock |
P-872668643 | MedKoo | In stock compounds | 95 | Main component | in stock |
P-888633291 | TargetMol | Screening Compounds | 95 | Main component | by synthesis |
P-869118208 | TargetMol | Screening Compounds - stock amount | 95 | Main component | in stock |
P-611491777 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 392.802 |
logP | 3.9854 |
H-bond acceptors | 6 |
H-bond donors | 3 |
Rotatable bonds | 6 |
PSA | 99.28 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 96.4083 |
Atoms | 46 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 20 |
Heteroatoms | 10 |
N/O atoms | 6 |
Inorganic atoms | 0 |
Halogen atoms | 4 |
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 | 0 |
Undefined stereo double bonds | 1 |