MCULE-2477442780
- 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 | 7 USD | 98 | 16 working days | Get Quote |
5 mg | 7 USD | 98 | 16 working days | Get Quote |
10 mg | 7 USD | 98 | 16 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.
Name | File |
---|---|
SDF | MCULE-2477442780.sdf |
SMILES | MCULE-2477442780.smiles |
Standard InChI | MCULE-2477442780.inchi |
InChIKey | MCULE-2477442780.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867585519 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875743731 | AA Blocks | AA Blocks | N/A | As is | in stock |
P-869181285 | AK Scientific | Building Blocks | 98 | As is | in stock |
P-505353827 | AK Scientific | Building Blocks | 99 | As is | in stock |
P-606906190 | AmBeed | In stock | N/A | As is | in stock |
P-489215619 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-596954022 | Angene | Building Blocks in stock | 98 | As is | 13.575 kg |
P-580697648 | BLD pharm | In-stock building blocks | 98 | As is | 1.05 kg |
P-868615151 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
P-862031571 | FluoroChem | All BB | 95 | As is | in stock |
P-505492686 | Hangzhou Apichem | Building Blocks in stock | 95 | As is | in stock |
P-524163740 | Key Organics | Building Blocks | 98 | As is | 25 g |
P-855992535 | Key Organics | Screening Compounds and Fragments | 98 | As is | 100 mg |
P-31250613 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-856044629 | LaboTest | Building Blocks | 90 | As is | unavailable |
P-863738508 | MedChemExpress | Natural Products In stock | 95 | As is | in stock |
P-502366832 | TimTec | Building Block Collection | 90 | As is | in stock |
P-666974816 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 228.242 |
logP | 2.7492 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 46.53 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 64.2315 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 3 |
Inorganic atoms | 0 |
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 |