C769-0089 Screening compound: ethyl 1-[8-(benzenesulfonyl)-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxylate

C769-0089 Screening compound: ethyl 1-[8-(benzenesulfonyl)-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxylate
C769-0089 Screening compound: ethyl 1-[8-(benzenesulfonyl)-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0089
ethyl 1-[8-(benzenesulfonyl)-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxylate

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

C769-0089

Molecular Formula

C25H26N2O6S (C25 H26 N2 O6 S)

Compound Name

ethyl 1-[8-(benzenesulfonyl)-2H,3H-[1,4]dioxino[2,3-g]quinolin-9-yl]piperidine-4-carboxylate

IUPAC name

ethyl 1-[8-(benzenesulfonyl)-2H3H-[14]dioxino[23-g]quinolin-9-yl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1c(c(c(nc1)c2)cc3c2OCCO3)c1S(c1ccccc1)(=O)=O)=O

InChI

InChI=1S/C25H26N2O6S/c1-2-31-25(28)17-8-10-27(11-9-17)24-19-14-21-22(33-13-12-32-21)15-20(19)26-16-23(24)34(29,30)18-6-4-3-5-7-18/h3-7,14-17H,2,8-13H2,1H3

InChI Key

ZVYWFKYWHQKYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403340

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.823

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.15

Polar Surface Area

78.019

Acid Dissociation Constant (pKa)

22.45

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C769-0089 in Drug Discovery

Included in Screening Libraries

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0089?
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What is the minimum amount of C769-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0089
  • 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 C769-0089 available by request