MCULE-8472527874
- 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 | 106 USD | 95 | 24 working days | Get Quote |
5 mg | 106 USD | 95 | 24 working days | Get Quote |
10 mg | 106 USD | 95 | 24 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-6647815245
- Component type: Counter Ion
-
2
MCULE-5175116598
- Component type: Unknown
Name | File |
---|---|
SDF | MCULE-8472527874.sdf |
SMILES | MCULE-8472527874.smiles |
Standard InChI | MCULE-8472527874.inchi |
InChIKey | MCULE-8472527874.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-612880028 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851463902 | AmBeed | On request | N/A | As is | by synthesis |
P-596928094 | Angene | Building Blocks in stock | 95 | As is | 2 g |
P-864242326 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-590757230 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-596565453 | Key Organics | Building Blocks | 95 | As is | 5 g |
Property | Value |
---|---|
Components | 3 |
Mass | 212.201 |
logP | -1.569 |
H-bond acceptors | 8 |
H-bond donors | 6 |
Rotatable bonds | 3 |
PSA | 167.1 |
RO5 violations | 1 |
RO3 violations | 3 |
Refractivity | 46.466 |
Atoms | 30 |
Rings | 0 |
Heavy atoms | 14 |
Hydrogen atoms | 16 |
Heteroatoms | 8 |
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 |