P123-0089 Screening compound: N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-4-(trifluoromethoxy)benzamide

P123-0089 Screening compound: N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-4-(trifluoromethoxy)benzamide
P123-0089 Screening compound: N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-4-(trifluoromethoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P123-0089
N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-4-(trifluoromethoxy)benzamide

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

P123-0089

Molecular Formula

C19H19F3N4O3 (C19 H19 F3 N4 O3)

Compound Name

N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-4-(trifluoromethoxy)benzamide

IUPAC name

N-{2-oxo-2-[4-(pyridin-2-yl)piperazin-1-yl]ethyl}-4-(trifluoromethoxy)benzamide

SMILES

O=C(CNC(c(cc1)ccc1OC(F)(F)F)=O)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C19H19F3N4O3/c20-19(21,22)29-15-6-4-14(5-7-15)18(28)24-13-17(27)26-11-9-25(10-12-26)16-3-1-2-8-23-16/h1-8H,9-13H2,(H,24,28)

InChI Key

HBDBLQDOKWYZBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

3.092

Water Solubility, LogSw

-3.36

Polar Surface Area

58.753

Acid Dissociation Constant (pKa)

12.09

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

P123-0089 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with P123-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P123-0089?
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What is the minimum amount of P123-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P123-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P123-0089
  • 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 P123-0089 available by request