R094-0016 Screening compound: 2-[(2,3-dimethylphenyl)amino]benzoic acid

R094-0016 Screening compound: 2-[(2,3-dimethylphenyl)amino]benzoic acid
R094-0016 Screening compound: 2-[(2,3-dimethylphenyl)amino]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R094-0016
2-[(2,3-dimethylphenyl)amino]benzoic 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

R094-0016

Molecular Formula

C15H15NO2 (C15 H15 NO2)

Compound Name

2-[(2,3-dimethylphenyl)amino]benzoic acid

IUPAC name

2-[(23-dimethylphenyl)amino]benzoic acid

SMILES

Cc1cccc(Nc(cccc2)c2C(O)=O)c1C

InChI

InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18)

InChI Key

HYYBABOKPJLUIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00051721

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

241.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.058

Distribution Coefficient, logD

0.422

Water Solubility, LogSw

-4.17

Polar Surface Area

36.163

Acid Dissociation Constant (pKa)

2.76

Base Dissociation Constant (pKb)

-1.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

R094-0016 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Soluble Diversity Library (15920 compounds)

Therapeutical Diversity Annotated Library (7563 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)

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Structure:
  • Pool
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Phosphatases
  • Phosphatases

References: we are preparing a list of scientific research reports with R094-0016 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R094-0016?
Check Price and Availability of R094-0016, 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 R094-0016 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R094-0016
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R094-0016
  • 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 R094-0016 available by request