MCULE-5437713528
- 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 | 77 USD | 95 | 22 working days | Get Quote |
5 mg | 77 USD | 95 | 22 working days | Get Quote |
10 mg | 77 USD | 95 | 22 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-5754159196
- Component type: Main
-
1
MCULE-7728164114
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-5437713528.sdf |
SMILES | MCULE-5437713528.smiles |
Standard InChI | MCULE-5437713528.inchi |
InChIKey | MCULE-5437713528.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886826383 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890101151 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-874646607 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-861389359 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-889341243 | FluoroChem | General BB | N/A | As is | in stock |
P-675280645 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-563569080 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-854873180 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-893882725 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-867313021 | A2B Chem | Predominantly Building Block on demand | 95 | Main component | by synthesis |
P-889938144 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-436450215 | Alinda | Building Blocks | 95 | Main component | in stock |
P-851614918 | AmBeed | On request | N/A | Main component | by synthesis |
P-590939792 | BLD pharm | Non-stock building blocks | 97 | Main component | by synthesis |
P-619933938 | ChemDiv | Building Blocks on demand | 90 | Main component | by synthesis |
P-861527988 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-580784510 | Crea-Chim | Building Blocks | 95 | Main component | by resynthesis (? - ? days) |
P-575332333 | EvoBlocks | In-stock Building Blocks | 95 | Main component | in stock |
P-862062798 | FluoroChem | General BB | N/A | Main component | in stock |
P-855970900 | Key Organics | Building Blocks | 95 | Main component | 1000 mg |
P-862530840 | Manchester Organics | Compounds on demand | N/A | Main component | by synthesis |
P-852404977 | Matrix Scientific | All | N/A | Main component | in stock |
P-491136444 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | Main component | by synthesis |
P-33471629 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-502358212 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-855354670 | Toronto Research | In stock | 90 | Main component | in stock |
Property | Value |
---|---|
Components | 2 |
Mass | 221.723 |
logP | 2.4639 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 40.54 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 63.6178 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 20 |
Heteroatoms | 4 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
Chiral centers | 2 |
R/S chiral centers | 0 |
Unknown chiral centers | 0 |
Undefined chiral centers | 2 |
Stereo double bonds | 0 |
Cis/trans stereo double bonds | 0 |
Unknown stereo double bonds | 0 |
Undefined stereo double bonds | 0 |