MCULE-2831225594
- 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 | 36 USD | 90 | 17 working days | Get Quote |
5 mg | 36 USD | 90 | 17 working days | Get Quote |
10 mg | 39 USD | 97 | 20 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-2831225594.sdf |
SMILES | MCULE-2831225594.smiles |
Standard InChI | MCULE-2831225594.inchi |
InChIKey | MCULE-2831225594.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886613136 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-890158205 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-869216185 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-610964852 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 99.168 g |
P-517094037 | Alinda | Stock Screening Compounds | 90 | As is | in stock |
P-868830662 | Angene | Building Blocks in stock | 97 | As is | 20 g |
P-895919923 | Apollo Scientific | On request | 95 | As is | by resynthesis (? - ? days) |
P-889585353 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-591035984 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-901554193 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-901443575 | Biosynth | Synthesis | 95 | As is | by synthesis |
P-868573634 | Combi-Blocks | Building Block in stock | 97 | As is | in stock |
P-901389146 | FluoroChem | In Stock BB | N/A | As is | 1000 mg |
P-579516097 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 3.8 g |
P-890209907 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-502568663 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-524173930 | Key Organics | Building Blocks | 95 | As is | unavailable |
P-524195824 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-867945216 | MedChemExpress | Building Blocks in stock | 95 | As is | in stock |
P-859985204 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-888592305 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
P-886895847 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 132.157 |
logP | 0.478 |
H-bond acceptors | 3 |
H-bond donors | 2 |
Rotatable bonds | 2 |
PSA | 57.53 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 33.6296 |
Atoms | 21 |
Rings | 0 |
Heavy atoms | 9 |
Hydrogen atoms | 12 |
Heteroatoms | 3 |
N/O atoms | 3 |
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 |