C126-0034 Screening compound: (2E)-3-(2-chlorophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide

C126-0034 Screening compound: (2E)-3-(2-chlorophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide
C126-0034 Screening compound: (2E)-3-(2-chlorophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C126-0034
(2E)-3-(2-chlorophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide

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

C126-0034

Molecular Formula

C23H24ClN3O (C23 H24 ClN3 O)

Compound Name

(2E)-3-(2-chlorophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide

IUPAC name

(2E)-3-(2-chlorophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide

SMILES

CCN(CC)c1cc(C)c(cc(cc2)NC(/C=C/c(cccc3)c3Cl)=O)c2n1

InChI

InChI=1S/C23H24ClN3O/c1-4-27(5-2)22-14-16(3)19-15-18(11-12-21(19)26-22)25-23(28)13-10-17-8-6-7-9-20(17)24/h6-15H,4-5H2,1-3H3,(H,25,28)/b13-10+

InChI Key

SLEIYYZBIUNMAV-JLHYYAGUSA-N

MDL Number (MFCD)

MFCD14721051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.92

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.425

Distribution Coefficient, logD

6.422

Water Solubility, LogSw

-6.10

Polar Surface Area

33.647

Acid Dissociation Constant (pKa)

10.38

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C126-0034 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C126-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C126-0034?
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What is the minimum amount of C126-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C126-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C126-0034
  • 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 C126-0034 available by request