C126-0020 Screening compound: (2E)-3-(4-bromophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide

C126-0020 Screening compound: (2E)-3-(4-bromophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide
C126-0020 Screening compound: (2E)-3-(4-bromophenyl)-N-[2-(diethylamino)-4-methylquinolin-6-yl]prop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C126-0020
(2E)-3-(4-bromophenyl)-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

C126-0020

Molecular Formula

C23H24BrN3O (C23 H24 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1cc(C)c(cc(cc2)NC(/C=C/c(cc3)ccc3Br)=O)c2n1

InChI

InChI=1S/C23H24BrN3O/c1-4-27(5-2)22-14-16(3)20-15-19(11-12-21(20)26-22)25-23(28)13-8-17-6-9-18(24)10-7-17/h6-15H,4-5H2,1-3H3,(H,25,28)

InChI Key

NBSVRPIOLFKBDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.37

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

6.728

Distribution Coefficient, logD

6.726

Water Solubility, LogSw

-5.71

Polar Surface Area

33.647

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

C126-0020 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C126-0020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C126-0020?
Check Price and Availability of C126-0020, 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 C126-0020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C126-0020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C126-0020
  • 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 C126-0020 available by request