C769-2097 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-3-(4-methylbenzenesulfonyl)quinolin-4-amine

C769-2097 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-3-(4-methylbenzenesulfonyl)quinolin-4-amine
C769-2097 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-3-(4-methylbenzenesulfonyl)quinolin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-2097
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-3-(4-methylbenzenesulfonyl)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

C769-2097

Molecular Formula

C26H24N2O4S (C26 H24 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc12)ccc2ncc(S(c2ccc(C)cc2)(=O)=O)c1Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C26H24N2O4S/c1-3-18-6-10-22-21(14-18)26(28-19-7-11-23-24(15-19)32-13-12-31-23)25(16-27-22)33(29,30)20-8-4-17(2)5-9-20/h4-11,14-16H,3,12-13H2,1-2H3,(H,27,28)

InChI Key

NJIQQBUJVDLKBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.56

Polar Surface Area

61.932

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

C769-2097 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-2097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-2097?
Check Price and Availability of C769-2097, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C769-2097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-2097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-2097
  • 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 C769-2097 available by request