MCULE-8116434052
- 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 | 26 USD | 97 | 19 working days | Get Quote |
5 mg | 26 USD | 97 | 19 working days | Get Quote |
10 mg | 26 USD | 97 | 19 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-9488331084
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-8116434052.sdf |
SMILES | MCULE-8116434052.smiles |
Standard InChI | MCULE-8116434052.inchi |
InChIKey | MCULE-8116434052.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886683692 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-889985295 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-613852950 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-851689488 | AmBeed | On request | N/A | As is | by synthesis |
P-611108414 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-861397069 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-854872580 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-611597163 | Toronto Research | In stock | 90 | As is | in stock |
P-893823568 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867611401 | A2B Chem | Predominantly Building Block in stock | 97 | Main component | in stock |
P-875771520 | AA Blocks | AA Blocks - in stock | N/A | Main component | in stock |
P-505346773 | AK Scientific | Building Blocks | 97 | Main component | in stock |
P-610976679 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | Main component | 1.1655 kg |
P-606837610 | AmBeed | In stock | N/A | Main component | in stock |
P-619155810 | Angene | Building Blocks in stock | 97 | Main component | 23 g |
P-864165951 | AstaTech | In Stock BBs | 95 | Main component | in stock |
P-605418966 | BLD pharm | In-stock building blocks | 97 | Main component | 7.6 g |
P-868563360 | Combi-Blocks | Building Block in stock | 97 | Main component | in stock |
P-580290680 | Debye Scientific | General Catalog | N/A | Main component | by resynthesis (? - ? days) |
P-861957562 | FluoroChem | General BB | 95 | Main component | in stock |
P-855927274 | Key Organics | Building Blocks | 97 | Main component | 1000 mg |
P-854801054 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-889885344 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-615407472 | eNovation Chemicals LLC | Building Blocks in stock | 95 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 206.109 |
logP | 4.0353 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 2 |
PSA | 12.03 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 57.3367 |
Atoms | 25 |
Rings | 1 |
Heavy atoms | 12 |
Hydrogen atoms | 13 |
Heteroatoms | 3 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 2 |
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 |