MCULE-6965600824-0
- 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 | 13 USD | 98 | 11 working days | Get Quote |
5 mg | 13 USD | 98 | 11 working days | Get Quote |
10 mg | 13 USD | 98 | 11 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-5696288379-2
- Component type: Main
-
2
MCULE-3833394421-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-6965600824-0.sdf |
SMILES | MCULE-6965600824-0.smiles |
Standard InChI | MCULE-6965600824-0.inchi |
InChIKey | MCULE-6965600824-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867588933 | A2B Chem | Predominantly Building Block in stock | 99 | As is | in stock |
P-875748035 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590372365 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-891651546 | AmBeed | On request | N/A | As is | by synthesis |
P-865910856 | Angene | Building Blocks in stock | 99 | As is | 150 g |
P-864209549 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-868626875 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-855919096 | Key Organics | Building Blocks | 97 | As is | 100 g |
P-584618100 | MedKoo | In stock compounds | 95 | As is | in stock |
P-885550813 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-611349532 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 3 |
Mass | 235.102 |
logP | -4.1272 |
H-bond acceptors | 7 |
H-bond donors | 1 |
Rotatable bonds | 6 |
PSA | 120.8 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 35.2828 |
Atoms | 22 |
Rings | 0 |
Heavy atoms | 15 |
Hydrogen atoms | 7 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 2 |
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 |