C066-1389 Screening compound: 2-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-dihydroisoquinolin-1-one

C066-1389 Screening compound: 2-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-dihydroisoquinolin-1-one
C066-1389 Screening compound: 2-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-dihydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-1389
2-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-dihydroisoquinolin-1-one

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

C066-1389

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

2-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-1,2-dihydroisoquinolin-1-one

IUPAC name

2-{2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl}-12-dihydroisoquinolin-1-one

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(CN(C=Cc1c2cccc1)C2=O)=O)=O

InChI

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

InChI Key

FEXXMEONMFIWCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714851

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

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.708

Distribution Coefficient, logD

1.708

Water Solubility, LogSw

-2.51

Polar Surface Area

49.161

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C066-1389 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C066-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-1389?
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What is the minimum amount of C066-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-1389
  • 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 C066-1389 available by request