MCULE-4169112738
- 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 | 39 USD | 98 | 16 working days | Get Quote |
5 mg | 53 USD | N/A | 14 working days | Get Quote |
10 mg | 120 USD | 98 | 16 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.
Name | File |
---|---|
SDF | MCULE-4169112738.sdf |
SMILES | MCULE-4169112738.smiles |
Standard InChI | MCULE-4169112738.inchi |
InChIKey | MCULE-4169112738.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867646637 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875814227 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869359510 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610894861 | Advanced ChemBlocks Inc (AChemBlock) | On demand | 90 | As is | by synthesis |
P-606918666 | AmBeed | In stock | N/A | As is | in stock |
P-489245667 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-489147892 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-619162346 | Angene | Building Blocks in stock | 98 | As is | 1000 mg |
P-864149975 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-580726917 | BLD pharm | In-stock building blocks | 98 | As is | 1000 mg |
P-851297191 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-579480624 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
P-855914815 | Key Organics | Building Blocks | 97 | As is | 1 mg |
P-854715146 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-474027111 | MedKoo | In stock compounds | 95 | As is | in stock |
P-878640963 | Molnova | Stock | 98 | As is | in stock |
P-888649619 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
P-869148169 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
P-611520754 | Toronto Research | In stock | 90 | As is | in stock |
P-868506670 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 478.522 |
logP | 4.2026 |
H-bond acceptors | 9 |
H-bond donors | 1 |
Rotatable bonds | 10 |
PSA | 123.0 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 124.2008 |
Atoms | 56 |
Rings | 4 |
Heavy atoms | 34 |
Hydrogen atoms | 22 |
Heteroatoms | 10 |
N/O atoms | 9 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |