PD-307243

CAT: 0013-GTR19196777-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19196777-01Size:25 mg

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Description

PD-307243 is a small molecule activator of the human Ether-à-go-go-Related Gene (hERG) potassium channel. It is a research tool used in vitro to study channel gating, cardiac electrophysiology, and mechanisms underlying Long QT syndrome.

CAS Number

313533-41-4

Field of Research

Pharmacology & Drug Discovery

Smiles

ClC=1C=C (N2CC=3C (C2) =CC=C (NC4=C (C (O) =O) C=CC=N4) C3) C=CC1Cl

Molecular Formula

C20H15Cl2N3O2

Molecular Weight

400.26

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

PD-307243

CAS Number	313533-41-4
PubChem CID	54440733
IUPAC Name	2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]pyridine-3-carboxylic acid
Molecular Formula	C20H15Cl2N3O2
Molecular Weight	400.3
XLogP	5.3
Topological Polar Surface Area	65.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	537

SMILES

C1C2=C(CN1C3=CC(=C(C=C3)Cl)Cl)C=C(C=C2)NC4=C(C=CC=N4)C(=O)O

InChI

InChI=1S/C20H15Cl2N3O2/c21-17-6-5-15(9-18(17)22)25-10-12-3-4-14(8-13(12)11-25)24-19-16(20(26)27)2-1-7-23-19/h1-9H,10-11H2,(H,23,24)(H,26,27)

InChIKey

WNXIPCSWXVTKQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 313533-41-4

CID: 54440733

Formula: C20H15Cl2N3O2

MW: 400.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	400.3
XLogP3	5.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Exact Mass	399.0541321
Monoisotopic Mass	399.0541321
Topological Polar Surface Area	65.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	537
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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PD-307243

Chemical Information

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