C168-0048 Screening compound: N-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-[1-oxo-2(1H)-isoquinolinyl]acetamide

C168-0048 Screening compound: N-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-[1-oxo-2(1H)-isoquinolinyl]acetamide
C168-0048 Screening compound: N-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-[1-oxo-2(1H)-isoquinolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C168-0048
N-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-[1-oxo-2(1H)-isoquinolinyl]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

C168-0048

Molecular Formula

C23H23FN4O3 (C23 H23 FN4 O3)

Compound Name

N-{2-[4-(2-fluorophenyl)piperazino]-2-oxoethyl}-2-[1-oxo-2(1H)-isoquinolinyl]acetamide

IUPAC name

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

SMILES

O=C(CN(C=Cc1c2cccc1)C2=O)NCC(N(CC1)CCN1c(cccc1)c1F)=O

InChI

InChI=1S/C23H23FN4O3/c24-19-7-3-4-8-20(19)26-11-13-27(14-12-26)22(30)15-25-21(29)16-28-10-9-17-5-1-2-6-18(17)23(28)31/h1-10H,11-16H2,(H,25,29)

InChI Key

STCHSSMRIPWJJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.46

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

1.771

Distribution Coefficient, logD

1.771

Water Solubility, LogSw

-2.66

Polar Surface Area

59.505

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.09

C168-0048 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C168-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C168-0048?
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What is the minimum amount of C168-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C168-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C168-0048
  • 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 C168-0048 available by request