C168-0053 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

C168-0053 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide
C168-0053 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0053
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

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

C168-0053

Molecular Formula

C23H23ClN4O3 (C23 H23 ClN4 O3)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxo-1,2-dihydroisoquinolin-2-yl)acetamide

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-2-(1-oxo-12-dihydroisoquinolin-2-yl)acetamide

SMILES

O=C(CN(C=Cc1c2cccc1)C2=O)NCC(N(CC1)CCN1c1cccc(Cl)c1)=O

InChI

InChI=1S/C23H23ClN4O3/c24-18-5-3-6-19(14-18)26-10-12-27(13-11-26)22(30)15-25-21(29)16-28-9-8-17-4-1-2-7-20(17)23(28)31/h1-9,14H,10-13,15-16H2,(H,25,29)

InChI Key

NBJIVQSXOIUAOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.176

Distribution Coefficient, logD

2.176

Water Solubility, LogSw

-3.51

Polar Surface Area

59.805

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C168-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0053?
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What is the minimum amount of C168-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0053
  • 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 C168-0053 available by request