MCULE-8652543751-0
- 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 | 147 USD | 90 | 18 working days | Get Quote |
5 mg | 174 USD | 90 | 18 working days | Get Quote |
10 mg | 194 USD | 90 | 18 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-8652543751-0.sdf |
SMILES | MCULE-8652543751-0.smiles |
Standard InChI | MCULE-8652543751-0.inchi |
InChIKey | MCULE-8652543751-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-860643152 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-893450706 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 4.802 g |
P-489139689 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-896048669 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868550560 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-862112112 | FluoroChem | General BB | 95 | As is | in stock |
P-25840632 | Life Chemicals | Building Blocks | 95 | As is | 4.797 g |
P-601059279 | Life Chemicals | Screening Compounds | 90 | As is | 4.797 g |
P-852508668 | Matrix Scientific | All | N/A | As is | in stock |
P-895281002 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-648843581 | Otava | Tangible screening compounds | 90 | As is | by synthesis |
P-855224590 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 257.152 |
logP | 3.1248 |
H-bond acceptors | 2 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 44.37 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 61.527 |
Atoms | 22 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 9 |
Heteroatoms | 4 |
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 |