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PD-118057

CAT: 0931-T16444-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T16444-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
313674-97-4
Target
Potassium Channel
Related Pathways
Membrane transporter/Ion channel
Purity
0.9997
Bioactivity
PD-118057 is a potent ether associated (hERG) potassium channel activator that shows no activity against hERG. PD-118057 inhibits the excitability of the membrane by activating the hERG channel. PD-118057 is a potential compound for the treatment of delayed repolarization in inherited or acquired long QT syndrome and congestive heart failure.
Smiles
OC(=O)c1ccccc1Nc1ccc(CCc2ccc(Cl)c(Cl)c2)cc1
Molecular Formula
C21H17Cl2NO2
Molecular Weight
386.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PD-118057
CAS Number313674-97-4
PubChem CID9864959
IUPAC Name2-[4-[2-(3,4-dichlorophenyl)ethyl]anilino]benzoic acid
Molecular FormulaC21H17Cl2NO2
Molecular Weight386.3
XLogP7.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity453
SMILES
C1=CC=C(C(=C1)C(=O)O)NC2=CC=C(C=C2)CCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H17Cl2NO2/c22-18-12-9-15(13-19(18)23)6-5-14-7-10-16(11-8-14)24-20-4-2-1-3-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)
InChIKey
ZCQOSCDABPVAFB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PD-118057
CAS: 313674-97-4
CID: 9864959
Formula: C21H17Cl2NO2
MW: 386.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight386.3
XLogP37.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass385.0636342
Monoisotopic Mass385.0636342
Topological Polar Surface Area49.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BA6896-5.1PD-118057
B7203-10PD 118057
A19962-25PD-118057 25mg
A19962-50PD-118057 50mg
A19962-1PD-118057 1mg
A19962-100PD-118057 100mg
A19962-10PD-118057 10mg
A19962-5PD-118057 5mg
A19962-10mM-DPD-118057 10mM * 1mL in DMSO
HY-144649PD-1/PD-L1-IN-24

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