C769-2119 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-amine

C769-2119 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-amine
C769-2119 Screening compound: 3-(4-chlorobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-2119
3-(4-chlorobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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

C769-2119

Molecular Formula

C23H17ClN2O4S (C23 H17 ClN2 O4 S)

Compound Name

3-(4-chlorobenzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)quinolin-4-amine

IUPAC name

3-(4-chlorobenzenesulfonyl)-N-(23-dihydro-14-benzodioxin-6-yl)quinolin-4-amine

SMILES

O=S(c(cc1)ccc1Cl)(c(cnc1ccccc11)c1Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C23H17ClN2O4S/c24-15-5-8-17(9-6-15)31(27,28)22-14-25-19-4-2-1-3-18(19)23(22)26-16-7-10-20-21(13-16)30-12-11-29-20/h1-10,13-14H,11-12H2,(H,25,26)

InChI Key

YCUDKFBTOFKDFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.144

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.51

Polar Surface Area

61.932

Acid Dissociation Constant (pKa)

17.30

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

C769-2119 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 C769-2119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-2119?
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What is the minimum amount of C769-2119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-2119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-2119
  • 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 C769-2119 available by request