5340-0940 Screening compound: (3E)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one

5340-0940 Screening compound: (3E)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one
5340-0940 Screening compound: (3E)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-0940
(3E)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-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

5340-0940

Molecular Formula

C12H11BrN2O2 (C12 H11 BrN2 O2)

Compound Name

(3E)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one

IUPAC name

(3E)-3-[2-(4-bromophenyl)-2-oxoethylidene]piperazin-2-one

SMILES

O=C(/C=C1/NCCNC1=O)c(cc1)ccc1Br

InChI

InChI=1S/C12H11BrN2O2/c13-9-3-1-8(2-4-9)11(16)7-10-12(17)15-6-5-14-10/h1-4,7,14H,5-6H2,(H,15,17)

InChI Key

ZIEULCWGCAWXEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01099793

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.14

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.545

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-2.03

Polar Surface Area

49.869

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

5.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5340-0940 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5340-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-0940?
Check Price and Availability of 5340-0940, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5340-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-0940
  • 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 5340-0940 available by request