C769-2092 Screening compound: 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinolin-4-amine

C769-2092 Screening compound: 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinolin-4-amine
C769-2092 Screening compound: 3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-2092
3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinolin-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

C769-2092

Molecular Formula

C25H22N2O6S (C25 H22 N2 O6 S)

Compound Name

3-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6,7-dimethoxyquinolin-4-amine

IUPAC name

3-(benzenesulfonyl)-N-(23-dihydro-14-benzodioxin-6-yl)-67-dimethoxyquinolin-4-amine

SMILES

COc(cc(c(nc1)c2)c(Nc(cc3)cc4c3OCCO4)c1S(c1ccccc1)(=O)=O)c2OC

InChI

InChI=1S/C25H22N2O6S/c1-30-21-13-18-19(14-22(21)31-2)26-15-24(34(28,29)17-6-4-3-5-7-17)25(18)27-16-8-9-20-23(12-16)33-11-10-32-20/h3-9,12-15H,10-11H2,1-2H3,(H,26,27)

InChI Key

NMONUHDTWKUTJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06744861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.942

Distribution Coefficient, logD

2.942

Water Solubility, LogSw

-3.31

Polar Surface Area

77.192

Acid Dissociation Constant (pKa)

18.52

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

C769-2092 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-2092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-2092?
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What is the minimum amount of C769-2092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-2092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-2092
  • 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 C769-2092 available by request