C769-0979 Screening compound: 1-[8-(4-METHOXYBENZENESULFONYL)-2H,3H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-YL]-4-METHYLPIPERAZINE

C769-0979 Screening compound: 1-[8-(4-METHOXYBENZENESULFONYL)-2H,3H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-YL]-4-METHYLPIPERAZINE
C769-0979 Screening compound: 1-[8-(4-METHOXYBENZENESULFONYL)-2H,3H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-YL]-4-METHYLPIPERAZINE alternative view

Chemical Structure Depiction of ChemDiv screening compound C769-0979
1-[8-(4-METHOXYBENZENESULFONYL)-2H,3H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-YL]-4-METHYLPIPERAZINE

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

C769-0979

Molecular Formula

C23H25N3O5S (C23 H25 N3 O5 S)

Compound Name

1-[8-(4-METHOXYBENZENESULFONYL)-2H,3H-[1,4]DIOXINO[2,3-G]QUINOLIN-9-YL]-4-METHYLPIPERAZINE

IUPAC name

n/a

SMILES

CN(CC1)CCN1c(c(c(nc1)c2)cc3c2OCCO3)c1S(c(cc1)ccc1OC)(=O)=O

InChI

InChI=1S/C23H25N3O5S/c1-25-7-9-26(10-8-25)23-18-13-20-21(31-12-11-30-20)14-19(18)24-15-22(23)32(27,28)17-5-3-16(29-2)4-6-17/h3-6,13-15H,7-12H2,1-2H3

InChI Key

AUQQYJLKUSZAPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.896

Distribution Coefficient, logD

1.609

Water Solubility, LogSw

-2.55

Polar Surface Area

68.286

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

7.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

C769-0979 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C769-0979 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C769-0979?
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What is the minimum amount of C769-0979 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C769-0979
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C769-0979
  • 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 C769-0979 available by request