D047-0239 Screening compound: 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

D047-0239 Screening compound: 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
D047-0239 Screening compound: 4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D047-0239
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

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

D047-0239

Molecular Formula

C19H20ClN3O2 (C19 H20 ClN3 O2)

Compound Name

4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

IUPAC name

4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide

SMILES

CC(c(cc1)ccc1N(CC1)CCN1C(Nc(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C19H20ClN3O2/c1-14(24)15-2-8-18(9-3-15)22-10-12-23(13-11-22)19(25)21-17-6-4-16(20)5-7-17/h2-9H,10-13H2,1H3,(H,21,25)

InChI Key

QTOKUUORHAGPSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02827727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.84

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.356

Distribution Coefficient, logD

3.356

Water Solubility, LogSw

-3.84

Polar Surface Area

42.795

Acid Dissociation Constant (pKa)

12.23

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D047-0239 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D047-0239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D047-0239?
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What is the minimum amount of D047-0239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D047-0239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D047-0239
  • 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 D047-0239 available by request