0402-0191 Screening compound: 3-nitrobenzoic acid

0402-0191 Screening compound: 3-nitrobenzoic acid
0402-0191 Screening compound: 3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0402-0191
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

0402-0191

Molecular Formula

C7H5NO4 (C7 H5 NO4)

Compound Name

3-nitrobenzoic acid

IUPAC name

3-nitrobenzoic acid

SMILES

[O-][N+](c1cc(C(O)=O)ccc1)=O

InChI

InChI=1S/C7H5NO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H,(H,9,10)

InChI Key

AFPHTEQTJZKQAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007251

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

167.12

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

1.959

Distribution Coefficient, logD

-1.857

Water Solubility, LogSw

-1.94

Polar Surface Area

62.028

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0402-0191 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0402-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0402-0191?
Check Price and Availability of 0402-0191, 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 0402-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0402-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0402-0191
  • 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 0402-0191 available by request