C768-0937 Screening compound: [9-(4-methylpiperazino)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl](phenyl)methanone

C768-0937 Screening compound: [9-(4-methylpiperazino)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl](phenyl)methanone
C768-0937 Screening compound: [9-(4-methylpiperazino)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl](phenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound C768-0937
[9-(4-methylpiperazino)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl](phenyl)methanone

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

C768-0937

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

[9-(4-methylpiperazino)-2,3-dihydro[1,4]dioxino[2,3-g]quinolin-8-yl](phenyl)methanone

IUPAC name

1-{8-benzoyl-2H3H-[14]dioxino[23-g]quinolin-9-yl}-4-methylpiperazine

SMILES

CN(CC1)CCN1c(c(c(nc1)c2)cc3c2OCCO3)c1C(c1ccccc1)=O

InChI

InChI=1S/C23H23N3O3/c1-25-7-9-26(10-8-25)22-17-13-20-21(29-12-11-28-20)14-19(17)24-15-18(22)23(27)16-5-3-2-4-6-16/h2-6,13-15H,7-12H2,1H3

InChI Key

PCMNKDZGKZKRAA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14792701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

1.565

Water Solubility, LogSw

-2.92

Polar Surface Area

44.708

Acid Dissociation Constant (pKa)

25.81

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

C768-0937 in Drug Discovery

Included in Screening Libraries

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

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C768-0937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C768-0937?
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What is the minimum amount of C768-0937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C768-0937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C768-0937
  • 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 C768-0937 available by request