MCULE-1784133126
- 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 | 46 USD | 90 | 21 working days | Get Quote |
5 mg | 49 USD | 95 | 14 working days | Get Quote |
10 mg | 49 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.
Name | File |
---|---|
SDF | MCULE-1784133126.sdf |
SMILES | MCULE-1784133126.smiles |
Standard InChI | MCULE-1784133126.inchi |
InChIKey | MCULE-1784133126.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867647471 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-875814932 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869273245 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610976266 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 11.85 g |
P-580213177 | Aldlab Chemicals | Building Block Custom Synth | 95 | As is | by synthesis |
P-851929396 | AmBeed | In stock | N/A | As is | in stock |
P-865923837 | Angene | Building Blocks in stock | 97 | As is | 5 g |
P-864169614 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-901418729 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-851270364 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
P-887158739 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889323821 | FluoroChem | General BB | N/A | As is | in stock |
P-502468349 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-855965097 | Key Organics | Building Blocks | 97 | As is | 100 mg |
P-872796272 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-12934007 | Otava | In-House Stock Library | 90 | As is | 1.149 g |
P-492285263 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 1.149 g |
P-888898871 | PharmaBlock | In stock | N/A | As is | in stock |
P-611578382 | Toronto Research | In stock | 90 | As is | in stock |
P-886950481 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
Property | Value |
---|---|
Components | 1 |
Mass | 177.242 |
logP | 2.3858 |
H-bond acceptors | 2 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 35.25 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 52.7974 |
Atoms | 28 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 15 |
Heteroatoms | 2 |
N/O atoms | 2 |
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 |