C769-1597 Screening compound: 3-(4-chlorobenzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]quinolin-4-amine

C769-1597 Screening compound: 3-(4-chlorobenzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]quinolin-4-amine
C769-1597 Screening compound: 3-(4-chlorobenzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-1597
3-(4-chlorobenzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)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

C769-1597

Molecular Formula

C23H18ClFN2O2S (C23 H18 ClFN2 O2 S)

Compound Name

3-(4-chlorobenzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]quinolin-4-amine

IUPAC name

3-(4-chlorobenzenesulfonyl)-6-fluoro-N-[(4-methylphenyl)methyl]quinolin-4-amine

SMILES

Cc1ccc(CNc(c2cc(F)ccc2nc2)c2S(c(cc2)ccc2Cl)(=O)=O)cc1

InChI

InChI=1S/C23H18ClFN2O2S/c1-15-2-4-16(5-3-15)13-27-23-20-12-18(25)8-11-21(20)26-14-22(23)30(28,29)19-9-6-17(24)7-10-19/h2-12,14H,13H2,1H3,(H,26,27)

InChI Key

QPPPFAOPBQLZPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745123

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.275

Distribution Coefficient, logD

5.275

Water Solubility, LogSw

-5.89

Polar Surface Area

47.431

Acid Dissociation Constant (pKa)

16.94

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C769-1597 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C769-1597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-1597?
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What is the minimum amount of C769-1597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-1597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-1597
  • 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 C769-1597 available by request