MCULE-3389718793-0
- 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 | 34 USD | 90 | 19 working days | Get Quote |
5 mg | 51 USD | 90 | 19 working days | Get Quote |
10 mg | 65 USD | 90 | 19 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.
-
1
MCULE-6442822995-0
- Component type: Main
-
1
MCULE-7728164114-1
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-3389718793-0.sdf |
SMILES | MCULE-3389718793-0.smiles |
Standard InChI | MCULE-3389718793-0.inchi |
InChIKey | MCULE-3389718793-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893166885 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851631178 | AmBeed | On request | N/A | As is | by synthesis |
P-590982744 | BLD pharm | Non-stock building blocks | 97 | As is | by synthesis |
P-580288184 | Debye Scientific | General Catalog | N/A | As is | by resynthesis (? - ? days) |
P-862102257 | FluoroChem | General BB | N/A | As is | in stock |
P-895836712 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-886655293 | A2B Chem | Predominantly Building Block in stock | 90 | Main component | in stock |
P-889951285 | AA Blocks | AA Blocks - synthesis | N/A | Main component | by synthesis |
P-869313911 | AK Scientific | Building Blocks | 95 | Main component | in stock |
P-436447366 | Alinda | Building Blocks | 95 | Main component | in stock |
P-851573417 | AmBeed | On request | N/A | Main component | by synthesis |
P-864253029 | AstaTech | Backordered BBs | 95 | Main component | by synthesis |
P-454694120 | ChemDiv | Building Blocks in stock | 90 | Main component | in stock |
P-861340031 | Combi-Blocks | Building Block on demand | 95 | Main component | by synthesis |
P-852397668 | Matrix Scientific | All | N/A | Main component | in stock |
P-854881356 | MedChemExpress | Building Blocks on demand | 95 | Main component | by synthesis |
P-23869761 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-33465845 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-502342656 | TimTec | Building Block Collection | 90 | Main component | in stock |
P-1177088 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 10 mg |
P-893740124 | eNovation Chemicals LLC | Building Block on demand | 95 | Main component | by synthesis |
Property | Value |
---|---|
Components | 2 |
Mass | 213.745 |
logP | 4.7221 |
H-bond acceptors | 1 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 26.02 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 65.2744 |
Atoms | 34 |
Rings | 1 |
Heavy atoms | 14 |
Hydrogen atoms | 20 |
Heteroatoms | 2 |
N/O atoms | 1 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |