MCULE-1256446067
- 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 | 47 USD | 95 | 22 working days | Get Quote |
5 mg | 125 USD | 95 | 14 working days | Get Quote |
10 mg | 177 USD | 95 | 14 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.
-
MCULE-8270277136
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1256446067.sdf |
SMILES | MCULE-1256446067.smiles |
Standard InChI | MCULE-1256446067.inchi |
InChIKey | MCULE-1256446067.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-869420239 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-868543839 | Axon Medchem | Axon predominantly SC catalog | 99 | As is | in stock |
P-580433254 | Debye Scientific | General Catalog | 95 | As is | by resynthesis (? - ? days) |
P-867620737 | A2B Chem | Predominantly Building Block in stock | 95 | As a main component | in stock |
P-875783009 | AA Blocks | AA Blocks - in stock | N/A | As a main component | in stock |
P-869340379 | AK Scientific | Building Blocks | 95 | As a main component | in stock |
P-895098395 | Angene | Building Blocks in stock | 98 | As a main component | 50 mg |
P-889521021 | AstaTech | Backordered BBs | 95 | As a main component | by synthesis |
P-887187913 | Combi-Blocks | Building Block on demand | 95 | As a main component | by synthesis |
P-873245860 | Key Organics | Building Blocks | 97 | As a main component | 5 mg |
P-854717719 | MedChemExpress | Screening compounds In stock | 95 | As a main component | in stock |
P-584619551 | MedKoo | In stock compounds | 95 | As a main component | in stock |
P-869119288 | TargetMol | Screening Compounds - synthesis | 95 | As a main component | by synthesis |
P-888634221 | TargetMol | Screening Compounds - stock amount | 95 | As a main component | 9 mg |
P-855066142 | Toronto Research | In stock | 90 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 352.387 |
logP | 2.6815 |
H-bond acceptors | 7 |
H-bond donors | 2 |
Rotatable bonds | 3 |
PSA | 89.18 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 105.6551 |
Atoms | 46 |
Rings | 4 |
Heavy atoms | 26 |
Hydrogen atoms | 20 |
Heteroatoms | 7 |
N/O atoms | 7 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
Chiral centers | 1 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 1 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |