MCULE-2060779448-0
- 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 | 35 USD | 95 | 10 working days | Get Quote |
5 mg | 35 USD | 95 | 10 working days | Get Quote |
10 mg | 35 USD | 95 | 10 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-3297632197-0
- Component type: Main
-
1
MCULE-1504889908-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2060779448-0.sdf |
SMILES | MCULE-2060779448-0.smiles |
Standard InChI | MCULE-2060779448-0.inchi |
InChIKey | MCULE-2060779448-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867668838 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875842945 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-851633782 | AmBeed | On request | N/A | As is | by synthesis |
P-611090990 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-666934270 | ChemBridge | Building Block Library | 95 | As is | in stock |
P-666897569 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 25 mg |
P-861376989 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862057901 | FluoroChem | General BB | 95 | As is | in stock |
P-855950168 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-895453291 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611471458 | Toronto Research | In stock | 90 | As is | in stock |
P-893673799 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 279.291 |
logP | 2.379 |
H-bond acceptors | 7 |
H-bond donors | 4 |
Rotatable bonds | 3 |
PSA | 136.09 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 64.3957 |
Atoms | 32 |
Rings | 1 |
Heavy atoms | 18 |
Hydrogen atoms | 14 |
Heteroatoms | 9 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 | 1 |
Undefined stereo double bonds | 0 |