MCULE-1928472477-0
- 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.
Name | File |
---|---|
SDF | MCULE-1928472477-0.sdf |
SMILES | MCULE-1928472477-0.smiles |
Standard InChI | MCULE-1928472477-0.inchi |
InChIKey | MCULE-1928472477-0.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-852099970 | A2B Chem | Predominantly Building Block on demand | 95 | As is | by synthesis |
P-889928281 | AA Blocks | AA Blocks - synthesis | N/A | As is | by synthesis |
P-4207222 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 50 mg |
P-3313540 | ChemDiv | Discovery Chemistry Library | 90 | As is | 21 mg |
P-492221151 | Innovapharm | Building Blocks | 95 | As is | in stock |
P-502592422 | Innovapharm | Screening Compounds | 90 | As is | in stock |
P-502468688 | Innovapharm | Virtual Building Blocks | 95 | As is | by synthesis |
P-503472969 | Innovapharm | Virtual Screening Compounds | 90 | As is | by synthesis |
P-12380405 | InterBioScreen | Screening Compounds | 92 | As is | 150 mg |
P-31131638 | LaboTest | Screening Collection | 90 | As is | unavailable |
P-617170889 | Life Chemicals | Screening Compounds | 90 | As is | 190 mg |
P-864001291 | MedChemExpress | Building Blocks on demand | 95 | As is | by synthesis |
P-18846802 | Princeton Biomolecular Research | Screening Compounds | 90 | As is | in stock |
P-666739958 | Specs | Screening Compounds | 90 | As is | 29 mg |
P-22814599 | TimTec | ActiMol 3 Week | 90 | As is | in stock |
P-502355426 | TimTec | Building Block Collection | 90 | As is | in stock |
P-655098 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | As is | 161 mg |
Property | Value |
---|---|
Components | 1 |
Mass | 223.225 |
logP | 1.5715 |
H-bond acceptors | 5 |
H-bond donors | 2 |
Rotatable bonds | 6 |
PSA | 75.63 |
RO5 violations | 0 |
RO3 violations | 3 |
Refractivity | 58.6325 |
Atoms | 29 |
Rings | 1 |
Heavy atoms | 16 |
Hydrogen atoms | 13 |
Heteroatoms | 5 |
N/O atoms | 5 |
Inorganic atoms | 0 |
Halogen atoms | 0 |
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 |