MCULE-4555031146-0
- 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 | 234 USD | 96 | 22 working days | Get Quote |
5 mg | 234 USD | 96 | 22 working days | Get Quote |
10 mg | 234 USD | 96 | 22 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-7467812000-0
- Component type: Main
-
1
MCULE-6152801555-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-4555031146-0.sdf |
SMILES | MCULE-4555031146-0.smiles |
Standard InChI | MCULE-4555031146-0.inchi |
InChIKey | MCULE-4555031146-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867683023 | A2B Chem | Predominantly Building Block in stock | 96 | As is | in stock |
P-875860671 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869223155 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893676378 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 236.054 |
logP | -2.3215 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 0 |
PSA | 29.9 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 49.5694 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 9 |
Hydrogen atoms | 9 |
Heteroatoms | 3 |
N/O atoms | 2 |
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 | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |