MCULE-1497940052
- 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 | 124 USD | 90 | 12 working days | Get Quote |
5 mg | 124 USD | 90 | 12 working days | Get Quote |
10 mg | 124 USD | 90 | 12 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-1613845302
- Component type: Main
Name | File |
---|---|
SDF | MCULE-1497940052.sdf |
SMILES | MCULE-1497940052.smiles |
Standard InChI | MCULE-1497940052.inchi |
InChIKey | MCULE-1497940052.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852106494 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889934071 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-615721446 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-893484072 | Advanced ChemBlocks Inc (AChemBlock) | In stock | 90 | As is | 30 g |
P-436475670 | Alinda | Building Blocks | 95 | As is | in stock |
P-851749380 | AmBeed | On request | N/A | As is | by synthesis |
P-851898012 | AmBeed | On request | N/A | As is | by synthesis |
P-596517929 | Asinex | General bb catalog | 90 | As is | 1000 mg |
P-596458831 | Asinex | General screening catalog | 90 | As is | 1000 mg |
P-590949605 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-591128128 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-454661748 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-861531932 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-861974446 | FluoroChem | General BB | N/A | As is | in stock |
P-502482987 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-855978683 | Key Organics | Building Blocks | 95 | As is | 1000 mg |
P-852402722 | Matrix Scientific | All | N/A | As is | in stock |
P-895375092 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23970317 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-502334319 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611580860 | Toronto Research | In stock | 90 | As is | in stock |
P-886964885 | eNovation Chemicals LLC | Building Block on demand | 95 | As is | by synthesis |
P-892917956 | A2B Chem | Predominantly Building Block on demand | 97 | As a main component | by synthesis |
P-892193030 | Angene | Building Blocks in stock | 97 | As a main component | 5 g |
P-889774227 | AstaTech | In Stock BBs | 97 | As a main component | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 181.231 |
logP | 2.1215 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 4 |
PSA | 44.48 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 51.7474 |
Atoms | 28 |
Rings | 1 |
Heavy atoms | 13 |
Hydrogen atoms | 15 |
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 |