MCULE-4752119585
- 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 | 13 USD | 95 | 11 working days | Get Quote |
5 mg | 13 USD | 95 | 11 working days | Get Quote |
10 mg | 13 USD | 95 | 11 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-4752119585.sdf |
SMILES | MCULE-4752119585.smiles |
Standard InChI | MCULE-4752119585.inchi |
InChIKey | MCULE-4752119585.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-867533105 | A2B Chem | Predominantly Building Block in stock | 95 | As is | in stock |
P-875687396 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-590355399 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-489185251 | Amadis Chemical Company Limited | Amadis Chemical General Catalog | 97 | As is | in stock |
P-864216002 | AstaTech | Backordered BBs | 95 | As is | by synthesis |
P-893225150 | Biosynth | In Stock | 95 | As is | in stock |
P-619926779 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-868619192 | Combi-Blocks | Building Block in stock | 95 | As is | in stock |
P-889115826 | FluoroChem | In Stock BB | 95 | As is | 25 g |
P-596602778 | Key Organics | Building Blocks | 95 | As is | 450 g |
P-870641435 | Key Organics | Screening Compounds and Fragments | 95 | As is | 100 mg |
P-860796982 | Manchester Organics | Stock compounds | 97 | As is | 69 g |
P-852505503 | Matrix Scientific | All | N/A | As is | in stock |
P-500410931 | Pi Chemicals | Virtual Compounds | 97 | As is | by synthesis |
P-885544070 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-22848909 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-855323333 | Toronto Research | In stock | 90 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 110.153 |
logP | 1.5416 |
H-bond acceptors | 1 |
H-bond donors | 0 |
Rotatable bonds | 1 |
PSA | 17.07 |
RO5 violations | 0 |
RO3 violations | 0 |
Refractivity | 33.375 |
Atoms | 18 |
Rings | 1 |
Heavy atoms | 8 |
Hydrogen atoms | 10 |
Heteroatoms | 1 |
N/O atoms | 1 |
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 |