0054-0071 Screening compound: 1-(4-bromo-3-nitrophenyl)ethan-1-one

0054-0071 Screening compound: 1-(4-bromo-3-nitrophenyl)ethan-1-one
0054-0071 Screening compound: 1-(4-bromo-3-nitrophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0071
1-(4-bromo-3-nitrophenyl)ethan-1-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

0054-0071

Molecular Formula

C8H6BrNO3 (C8 H6 BrNO3)

Compound Name

1-(4-bromo-3-nitrophenyl)ethan-1-one

IUPAC name

1-(4-bromo-3-nitrophenyl)ethan-1-one

SMILES

CC(c(cc1)cc([N+]([O-])=O)c1Br)=O

InChI

InChI=1S/C8H6BrNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3

InChI Key

YFVOFFKNHQTQQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00016985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.04

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.157

Distribution Coefficient, logD

2.157

Water Solubility, LogSw

-2.57

Polar Surface Area

47.146

Acid Dissociation Constant (pKa)

21.30

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0054-0071 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0054-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0071?
Check Price and Availability of 0054-0071, 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 0054-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0071
  • 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 0054-0071 available by request