MCULE-1145212172
- 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 | 37 USD | 90 | 22 working days | Get Quote |
5 mg | 45 USD | 90 | 22 working days | Get Quote |
10 mg | 60 USD | 90 | 22 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-1145212172.sdf |
SMILES | MCULE-1145212172.smiles |
Standard InChI | MCULE-1145212172.inchi |
InChIKey | MCULE-1145212172.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-893082667 | A2B Chem | Predominantly Building Block on demand | N/A | As is | by synthesis |
P-851552128 | AmBeed | On request | N/A | As is | by synthesis |
P-596343469 | Asinex | General screening catalog | 90 | As is | 10 mg |
P-590803902 | BLD pharm | Non-stock building blocks | 95 | As is | by synthesis |
P-4438352 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 100 mg |
P-3347231 | ChemDiv | Discovery Chemistry Library | 90 | As is | 27 mg |
P-861565235 | Combi-Blocks | Building Block on demand | 95 | As is | by synthesis |
P-502760359 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-580047458 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-895518082 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-596804150 | Princeton Biomolecular Research | Building Blocks Synthesis | 95 | As is | by synthesis |
P-33810870 | TimTec | ActiMol 6 Week | 90 | As is | in stock |
P-888360939 | TimTec | ActiMol 4 Week - On demand | 94 | As is | by resynthesis (? - ? days) |
Property | Value |
---|---|
Components | 1 |
Mass | 281.758 |
logP | 4.603 |
H-bond acceptors | 3 |
H-bond donors | 1 |
Rotatable bonds | 3 |
PSA | 54.55 |
RO5 violations | 0 |
RO3 violations | 1 |
Refractivity | 73.5317 |
Atoms | 30 |
Rings | 2 |
Heavy atoms | 18 |
Hydrogen atoms | 12 |
Heteroatoms | 5 |
N/O atoms | 3 |
Inorganic atoms | 0 |
Halogen atoms | 1 |
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 |