C126-0018 Screening compound: 2-CHLORO-N-[2-(DIETHYLAMINO)-4-METHYLQUINOLIN-6-YL]-4-FLUOROBENZAMIDE

C126-0018 Screening compound: 2-CHLORO-N-[2-(DIETHYLAMINO)-4-METHYLQUINOLIN-6-YL]-4-FLUOROBENZAMIDE
C126-0018 Screening compound: 2-CHLORO-N-[2-(DIETHYLAMINO)-4-METHYLQUINOLIN-6-YL]-4-FLUOROBENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C126-0018
2-CHLORO-N-[2-(DIETHYLAMINO)-4-METHYLQUINOLIN-6-YL]-4-FLUOROBENZAMIDE

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

C126-0018

Molecular Formula

C21H21ClFN3O (C21 H21 ClFN3 O)

Compound Name

2-CHLORO-N-[2-(DIETHYLAMINO)-4-METHYLQUINOLIN-6-YL]-4-FLUOROBENZAMIDE

IUPAC name

2-chloro-N-[2-(diethylamino)-4-methylquinolin-6-yl]-4-fluorobenzamide

SMILES

CCN(CC)c1cc(C)c(cc(cc2)NC(c(ccc(F)c3)c3Cl)=O)c2n1

InChI

InChI=1S/C21H21ClFN3O/c1-4-26(5-2)20-10-13(3)17-12-15(7-9-19(17)25-20)24-21(27)16-8-6-14(23)11-18(16)22/h6-12H,4-5H2,1-3H3,(H,24,27)

InChI Key

ZYKYTTVSKVRBKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721037

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.884

Distribution Coefficient, logD

5.780

Water Solubility, LogSw

-6.13

Polar Surface Area

33.860

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.81

C126-0018 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C126-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C126-0018?
Check Price and Availability of C126-0018, 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 C126-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C126-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C126-0018
  • 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 C126-0018 available by request