C769-0867 Screening compound: 4-methoxyphenyl [9-(1-pyrrolidinyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl] sulfone

C769-0867 Screening compound: 4-methoxyphenyl [9-(1-pyrrolidinyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl] sulfone
C769-0867 Screening compound: 4-methoxyphenyl [9-(1-pyrrolidinyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0867
4-methoxyphenyl [9-(1-pyrrolidinyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl] sulfone

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

C769-0867

Molecular Formula

C22H22N2O5S (C22 H22 N2 O5 S)

Compound Name

4-methoxyphenyl [9-(1-pyrrolidinyl)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl] sulfone

IUPAC name

1-[8-(4-methoxybenzenesulfonyl)-2H3H-[14]dioxino[23-g]quinolin-9-yl]pyrrolidine

SMILES

COc(cc1)ccc1S(c(cnc(c1c2)cc3c2OCCO3)c1N1CCCC1)(=O)=O

InChI

InChI=1S/C22H22N2O5S/c1-27-15-4-6-16(7-5-15)30(25,26)21-14-23-18-13-20-19(28-10-11-29-20)12-17(18)22(21)24-8-2-3-9-24/h4-7,12-14H,2-3,8-11H2,1H3

InChI Key

AXOXPXATUXJMAS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.804

Distribution Coefficient, logD

2.804

Water Solubility, LogSw

-3.19

Polar Surface Area

65.175

Acid Dissociation Constant (pKa)

24.93

Base Dissociation Constant (pKb)

4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

C769-0867 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 C769-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0867?
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What is the minimum amount of C769-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0867
  • 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 C769-0867 available by request