C769-1643 Screening compound: 3-(4-chlorobenzenesulfonyl)-6-ethoxy-N-[(4-fluorophenyl)methyl]quinolin-4-amine

C769-1643 Screening compound: 3-(4-chlorobenzenesulfonyl)-6-ethoxy-N-[(4-fluorophenyl)methyl]quinolin-4-amine
C769-1643 Screening compound: 3-(4-chlorobenzenesulfonyl)-6-ethoxy-N-[(4-fluorophenyl)methyl]quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-1643
3-(4-chlorobenzenesulfonyl)-6-ethoxy-N-[(4-fluorophenyl)methyl]quinolin-4-amine

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

C769-1643

Molecular Formula

C24H20ClFN2O3S (C24 H20 ClFN2 O3 S)

Compound Name

3-(4-chlorobenzenesulfonyl)-6-ethoxy-N-[(4-fluorophenyl)methyl]quinolin-4-amine

IUPAC name

3-(4-chlorobenzenesulfonyl)-6-ethoxy-N-[(4-fluorophenyl)methyl]quinolin-4-amine

SMILES

CCOc(cc12)ccc2ncc(S(c(cc2)ccc2Cl)(=O)=O)c1NCc(cc1)ccc1F

InChI

InChI=1S/C24H20ClFN2O3S/c1-2-31-19-9-12-22-21(13-19)24(28-14-16-3-7-18(26)8-4-16)23(15-27-22)32(29,30)20-10-5-17(25)6-11-20/h3-13,15H,2,14H2,1H3,(H,27,28)

InChI Key

WLZFULPMCIJENY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-5.72

Polar Surface Area

54.554

Acid Dissociation Constant (pKa)

17.12

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C769-1643 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C769-1643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-1643?
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What is the minimum amount of C769-1643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-1643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-1643
  • 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 C769-1643 available by request