MCULE-9922201698
- 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 | 112 USD | 95 | 14 working days | Get Quote |
5 mg | 112 USD | 95 | 14 working days | Get Quote |
10 mg | 112 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.
-
1
MCULE-1413514696
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-9922201698.sdf |
SMILES | MCULE-9922201698.smiles |
Standard InChI | MCULE-9922201698.inchi |
InChIKey | MCULE-9922201698.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886628813 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890161692 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-893580545 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 90 g |
P-867736594 | AmBeed | On request | N/A | As is | by synthesis |
P-865923553 | Angene | Building Blocks in stock | 98 | As is | 50 g |
P-895939943 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889586356 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-862398589 | BLD pharm | Non-stock building blocks | 98 | As is | by synthesis |
P-893266984 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-887167858 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-901388292 | FluoroChem | In Stock BB | N/A | As is | 250 mg |
P-863715796 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-855234460 | Toronto Research | In stock | 90 | As is | in stock |
P-872754249 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-893132087 | A2B Chem | Predominantly Building Block on demand | N/A | Main component | by synthesis |
P-580227990 | Aldlab Chemicals | Building Block Custom Synth | 95 | Main component | by synthesis |
P-863637420 | Matrix Scientific | All | N/A | Main component | in stock |
P-869043733 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 288.595 |
logP | 5.5438 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 26.02 |
RO5 violations | 1 |
RO3 violations | 1 |
Refractivity | 75.5874 |
Atoms | 29 |
Rings | 2 |
Heavy atoms | 17 |
Hydrogen atoms | 12 |
Heteroatoms | 4 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 3 |
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 |