R094-0011 Screening compound: 3-methyl-4-nitrobenzoic acid

R094-0011 Screening compound: 3-methyl-4-nitrobenzoic acid
R094-0011 Screening compound: 3-methyl-4-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R094-0011
3-methyl-4-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

R094-0011

Molecular Formula

C8H7NO4 (C8 H7 NO4)

Compound Name

3-methyl-4-nitrobenzoic acid

IUPAC name

3-methyl-4-nitrobenzoic acid

SMILES

Cc(cc(cc1)C(O)=O)c1[N+]([O-])=O

InChI

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

InChI Key

XDTTUTIFWDAMIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00007168

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

2.431

Distribution Coefficient, logD

-0.919

Water Solubility, LogSw

-2.38

Polar Surface Area

61.727

Acid Dissociation Constant (pKa)

4.05

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

R094-0011 in Drug Discovery

Included in Screening Libraries

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 R094-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R094-0011?
Check Price and Availability of R094-0011, 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 R094-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R094-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R094-0011
  • 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 R094-0011 available by request