MCULE-1249462560-0
- 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 | 95 | 14 working days | Get Quote |
5 mg | 36 USD | 95 | 14 working days | Get Quote |
10 mg | 41 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.
-
MCULE-7722872221-0
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1249462560-0.sdf |
SMILES | MCULE-1249462560-0.smiles |
Standard InChI | MCULE-1249462560-0.inchi |
InChIKey | MCULE-1249462560-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-886603595 | A2B Chem | Predominantly Building Block in stock | 97 | As is | in stock |
P-890155634 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-611622168 | AK Scientific | Building Blocks | 97 | As is | in stock |
P-608155543 | Alinda | Building Blocks | 95 | As is | 45 g |
P-851898759 | AmBeed | On request | N/A | As is | by synthesis |
P-597009613 | Angene | Building Blocks in stock | 97 | As is | 20 g |
P-889849958 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-454646572 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-896544612 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-901410555 | FluoroChem | General BB | N/A | As is | in stock |
P-590341398 | HTS Biochemie Innovationen GmbH | Stock Compounds | 90 | As is | 3 g |
P-890218953 | HTS Biochemie Innovationen GmbH | Building Blocks | 90 | As is | in stock |
P-504609154 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-563688564 | Key Organics | Building Blocks | 95 | As is | 100 mg |
P-12954930 | Otava | In-House Stock Library | 90 | As is | 2.632 g |
P-492285623 | Otava | Chemical Building Blocks for Prompt Delivery | 95 | As is | 2.632 g |
P-859995221 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-855221445 | Toronto Research | In stock | 90 | As is | in stock |
P-615421979 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
P-896110663 | Specs | Screening Compounds | 90 | As a main component | 1 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 249.352 |
logP | 1.8692 |
H-bond acceptors | 4 |
H-bond donors | 1 |
Rotatable bonds | 5 |
PSA | 41.73 |
RO5 violations | 0 |
RO3 violations | 2 |
Refractivity | 81.5154 |
Atoms | 41 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 23 |
Heteroatoms | 4 |
N/O atoms | 4 |
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 |