0781-2248 Screening compound: 4-methyl-3-nitrobenzoic acid

0781-2248 Screening compound: 4-methyl-3-nitrobenzoic acid
0781-2248 Screening compound: 4-methyl-3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2248
4-methyl-3-nitrobenzoic acid

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

0781-2248

Molecular Formula

C8H7NO4 (C8 H7 NO4)

Compound Name

4-methyl-3-nitrobenzoic acid

IUPAC name

4-methyl-3-nitrobenzoic acid

SMILES

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

InChI

InChI=1S/C8H7NO4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3,(H,10,11)

InChI Key

BBEWSMNRCUXQRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

181.15

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.361

Distribution Coefficient, logD

-1.036

Water Solubility, LogSw

-2.33

Polar Surface Area

61.727

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0781-2248 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0781-2248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2248?
Check Price and Availability of 0781-2248, 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 0781-2248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2248
  • 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 0781-2248 available by request