C444-1798 Screening compound: 1-acetyl-N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

C444-1798 Screening compound: 1-acetyl-N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide
C444-1798 Screening compound: 1-acetyl-N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C444-1798
1-acetyl-N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

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

C444-1798

Molecular Formula

C17H16F2N2O3S (C17 H16 F2 N2 O3 S)

Compound Name

1-acetyl-N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-6-sulfonamide

IUPAC name

1-acetyl-N-(24-difluorophenyl)-1234-tetrahydroquinoline-6-sulfonamide

SMILES

CC(N(CCC1)c(cc2)c1cc2S(Nc(ccc(F)c1)c1F)(=O)=O)=O

InChI

InChI=1S/C17H16F2N2O3S/c1-11(22)21-8-2-3-12-9-14(5-7-17(12)21)25(23,24)20-16-6-4-13(18)10-15(16)19/h4-7,9-10,20H,2-3,8H2,1H3

InChI Key

WFUVVSAMVUKJBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14758249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.665

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-3.28

Polar Surface Area

56.242

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C444-1798 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C444-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C444-1798?
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What is the minimum amount of C444-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C444-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C444-1798
  • 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 C444-1798 available by request