MCULE-2052828414
- 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 | 44 USD | N/A | 10 working days | Get Quote |
5 mg | 44 USD | N/A | 10 working days | Get Quote |
10 mg | 44 USD | N/A | 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-8248386535
- Component type: Main
-
2
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2052828414.sdf |
SMILES | MCULE-2052828414.smiles |
Standard InChI | MCULE-2052828414.inchi |
InChIKey | MCULE-2052828414.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867664335 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875832978 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869232799 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-606834339 | AmBeed | In stock | N/A | As is | in stock |
P-596933871 | Angene | Building Blocks in stock | 97 | As is | 6.85 g |
P-864149368 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-615456752 | eNovation Chemicals LLC | Building Blocks in stock | 97 | As is | in stock |
P-886622201 | A2B Chem | Predominantly Building Block in stock | 95 | Main component | in stock |
P-890160153 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-853433884 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-881612845 | AmBeed | In stock | N/A | Main component | in stock |
P-888819748 | Angene | Building Blocks in stock | 95 | Main component | 2 g |
P-889784484 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-851863223 | AmBeed | On request | N/A | Main component as a main component | by synthesis |
P-864251758 | AstaTech | Backordered BBs | 95 | Main component as a main component | by synthesis |
Property | Value |
---|---|
Components | 3 |
Mass | 253.123 |
logP | 3.1087 |
H-bond acceptors | 4 |
H-bond donors | 3 |
Rotatable bonds | 3 |
PSA | 89.34 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 63.8356 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 15 |
Hydrogen atoms | 14 |
Heteroatoms | 6 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
Chiral centers | 1 |
R/S chiral centers | 1 |
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 |