2421-0052 Screening compound: 2-[(1E)-2-[(2-chlorophenyl)amino]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium

2421-0052 Screening compound: 2-[(1E)-2-[(2-chlorophenyl)amino]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium
2421-0052 Screening compound: 2-[(1E)-2-[(2-chlorophenyl)amino]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2421-0052
2-[(1E)-2-[(2-chlorophenyl)amino]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

2421-0052

Molecular Formula

C19H20ClN2 (C19 H20 ClN2)

Compound Name

2-[(1E)-2-[(2-chlorophenyl)amino]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium

IUPAC name

2-[(1E)-2-[(2-chlorophenyl)amino]ethenyl]-133-trimethyl-3H-indol-1-ium

SMILES

CC1(C)c(cccc2)c2[N+](C)=C1/C=C/Nc(cccc1)c1Cl

InChI

InChI=1S/C19H19ClN2/c1-19(2)14-8-4-7-11-17(14)22(3)18(19)12-13-21-16-10-6-5-9-15(16)20/h4-13H,1-3H3/p+1

InChI Key

INLNRLHCCRTOEN-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00602747

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

311.83

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.462

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.61

Polar Surface Area

12.441

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

2421-0052 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 2421-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2421-0052?
Check Price and Availability of 2421-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2421-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2421-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2421-0052
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 2421-0052 available by request