MCULE-2481064981
- 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 | 17 working days | Get Quote |
5 mg | 51 USD | 90 | 17 working days | Get Quote |
10 mg | 65 USD | 90 | 17 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-8973173625
- Component type: Main
-
1
MCULE-6647815245
- Component type: Counter Ion
Name | File |
---|---|
SDF | MCULE-2481064981.sdf |
SMILES | MCULE-2481064981.smiles |
Standard InChI | MCULE-2481064981.inchi |
InChIKey | MCULE-2481064981.txt |
mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
---|---|---|---|---|---|
P-4680031 | ChemBridge | EXPRESS-Pick Collection | 90 | Main component | 20 mg |
P-674254102 | ChemDiv | Discovery Chemistry Library | 90 | Main component | 43 mg |
P-34762912 | Crea-Chim | HTS compounds | 90 | Main component | by resynthesis (? - ? days) |
P-19050081 | Princeton Biomolecular Research | Screening Compounds | 90 | Main component | in stock |
P-23390226 | Specs | Screening Compounds | 90 | Main component | 15 mg |
P-22778309 | TimTec | ActiMol 3 Week | 90 | Main component | in stock |
P-740239 | VITAS M CHEMICAL LIMITED | Screening compounds | 90 | Main component | 128 mg |
Property | Value |
---|---|
Components | 2 |
Mass | 426.258 |
logP | 3.6971 |
H-bond acceptors | 7 |
H-bond donors | 3 |
Rotatable bonds | 7 |
PSA | 105.09 |
RO5 violations | 0 |
RO3 violations | 5 |
Refractivity | 100.9973 |
Atoms | 46 |
Rings | 2 |
Heavy atoms | 26 |
Hydrogen atoms | 20 |
Heteroatoms | 8 |
N/O atoms | 7 |
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 |