Products for Research Use Only

PD-307243

CAT: 0931-T28347-03Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T28347-03Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
313533-41-4
Target
Others, Potassium Channel
Related Pathways
Membrane transporter/Ion channel, Others
Bioactivity
PD-307243 is an activator of hERG channel.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

PD-307243
CAS Number313533-41-4
PubChem CID54440733
IUPAC Name2-[[2-(3,4-dichlorophenyl)-1,3-dihydroisoindol-5-yl]amino]pyridine-3-carboxylic acid
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.3
XLogP5.3
Topological Polar Surface Area65.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count27
Formal Charge0
Complexity537
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
2D structure of PD-307243
CAS: 313533-41-4
CID: 54440733
Formula: C20H15Cl2N3O2
MW: 400.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight400.3
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass399.0541321
Monoisotopic Mass399.0541321
Topological Polar Surface Area65.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity537
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