MCULE-6070224743
- 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 | 40 USD | 95 | 9 working days | Get Quote |
5 mg | 41 USD | N/A | 9 working days | Get Quote |
10 mg | 52 USD | N/A | 9 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-6070224743.sdf |
SMILES | MCULE-6070224743.smiles |
Standard InChI | MCULE-6070224743.inchi |
InChIKey | MCULE-6070224743.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-892895628 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890194017 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-895168277 | AmBeed | In stock | N/A | As is | in stock |
P-895114956 | Angene | Building Blocks in stock | 97 | As is | 500 mg |
P-893263862 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-888624133 | Key Organics | Building Blocks | 95 | As is | 1 mg |
P-895182162 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
P-896071990 | MedKoo | In stock compounds | 95 | As is | in stock |
P-892272406 | TargetMol | Screening Compounds - synthesis | 95 | As is | by synthesis |
P-892298537 | TargetMol | In Stock BB | 95 | As is | unavailable |
P-892349511 | TargetMol | Screening Compounds - stock amount | 95 | As is | 100 mg |
P-893873846 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 373.385 |
logP | 3.5921 |
H-bond acceptors | 8 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 121.89 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 93.5939 |
Atoms | 41 |
Rings | 3 |
Heavy atoms | 26 |
Hydrogen atoms | 15 |
Heteroatoms | 9 |
N/O atoms | 8 |
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 |