0054-0139 Screening compound: 2-bromo-1-methyl-4-nitrobenzene

0054-0139 Screening compound: 2-bromo-1-methyl-4-nitrobenzene
0054-0139 Screening compound: 2-bromo-1-methyl-4-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0054-0139
2-bromo-1-methyl-4-nitrobenzene

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

0054-0139

Molecular Formula

C7H6BrNO2 (C7 H6 BrNO2)

Compound Name

2-bromo-1-methyl-4-nitrobenzene

IUPAC name

2-bromo-1-methyl-4-nitrobenzene

SMILES

Cc(ccc([N+]([O-])=O)c1)c1Br

InChI

InChI=1S/C7H6BrNO2/c1-5-2-3-6(9(10)11)4-7(5)8/h2-4H,1H3

InChI Key

XFZFJQHXWJIBQV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

216.03

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.401

Distribution Coefficient, logD

3.401

Water Solubility, LogSw

-3.57

Polar Surface Area

33.620

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

0054-0139 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 0054-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0054-0139?
Check Price and Availability of 0054-0139, 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 0054-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0054-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0054-0139
  • 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 0054-0139 available by request