MCULE-1475431363-0
- 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 | 10 USD | 97 | 20 working days | Get Quote |
5 mg | 10 USD | 97 | 20 working days | Get Quote |
10 mg | 10 USD | 97 | 20 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-3429565001-0
- Component type: Main
-
1
MCULE-5133077095-0
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-1475431363-0.sdf |
SMILES | MCULE-1475431363-0.smiles |
Standard InChI | MCULE-1475431363-0.inchi |
InChIKey | MCULE-1475431363-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867575915 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875735997 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590412437 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893551593 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 394.06 g |
P-851950895 | AmBeed | In stock | N/A | As is | in stock |
P-489145392 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-865909000 | Angene | Building Blocks in stock | 97 | As is | 100 g |
P-494306761 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-864197141 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-674402185 | BLD pharm | In-stock building blocks | 97 | As is | 6 g |
P-868612205 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-861924717 | FluoroChem | General BB | 97 | As is | in stock |
P-855987157 | Key Organics | Building Blocks | 97 | As is | 5 g |
P-855399152 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-885539845 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-873284939 | Shanghai iChemical | In stock | N/A | As is | in stock |
P-893987055 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-886214297 | A2B Chem | Predominantly Building Block on demand | N/A | Main component as a main component | by synthesis |
P-25739763 | Life Chemicals | Screening Compounds | 90 | Main component as a main component | in stock |
P-33282072 | TimTec | ActiMol 2 Week | 90 | Main component as a main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 356.403 |
logP | 5.5963 |
H-bond acceptors | 4 |
H-bond donors | 0 |
Rotatable bonds | 3 |
PSA | 78.72 |
RO5 violations | 1 |
RO3 violations | 4 |
Refractivity | 82.4174 |
Atoms | 46 |
Rings | 1 |
Heavy atoms | 23 |
Hydrogen atoms | 23 |
Heteroatoms | 8 |
N/O atoms | 4 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |