MCULE-5056372154
- 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 | 70 USD | 95 | 21 working days | Get Quote |
5 mg | 70 USD | 95 | 21 working days | Get Quote |
10 mg | 82 USD | 95 | 21 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-8158133342
- Component type: Main
Name | File |
---|---|
SDF | MCULE-5056372154.sdf |
SMILES | MCULE-5056372154.smiles |
Standard InChI | MCULE-5056372154.inchi |
InChIKey | MCULE-5056372154.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-872831243 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
P-875804342 | AA Blocks | AA Blocks - in stock | N/A | As is | in stock |
P-615717652 | AK Scientific | Building Blocks | 95 | As is | in stock |
P-436456070 | Alinda | Building Blocks | 95 | As is | 3 g |
P-870136047 | AmBeed | In stock | N/A | As is | in stock |
P-888819651 | Angene | Building Blocks in stock | 98 | As is | 4.5 g |
P-889784778 | AstaTech | In Stock BBs | 95 | As is | in stock |
P-869375773 | BLD pharm | In-stock building blocks | 98 | As is | 2.05 g |
P-619934740 | ChemDiv | Building Blocks on demand | 90 | As is | by synthesis |
P-454764380 | ChemDiv | Building Blocks in stock | 90 | As is | in stock |
P-580772064 | Crea-Chim | Prepacked BB compounds with prompt delivery | 90 | As is | in stock |
P-580784743 | Crea-Chim | Building Blocks | 90 | As is | by resynthesis (? - ? days) |
P-862064420 | FluoroChem | General BB | N/A | As is | in stock |
P-580496504 | Manchester Organics | Compounds on demand | N/A | As is | by synthesis |
P-852409965 | Matrix Scientific | All | N/A | As is | in stock |
P-854839724 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-23968033 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-491136581 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33471898 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502359235 | TimTec | Building Block Collection | 90 | As is | in stock |
P-611590913 | Toronto Research | In stock | 90 | As is | in stock |
P-1577792 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | unavailable |
P-886910580 | eNovation Chemicals LLC | Building Blocks in stock | 95 | As is | in stock |
Property | Value |
---|---|
Components | 1 |
Mass | 195.327 |
logP | 3.59 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 1 |
PSA | 40.27 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 62.8887 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 13 |
Hydrogen atoms | 17 |
Heteroatoms | 2 |
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 |