6704-0017 Screening compound: 2-[(2,4-dimethylphenyl)amino]-3,4,5,6-tetrafluorobenzoic acid

6704-0017 Screening compound: 2-[(2,4-dimethylphenyl)amino]-3,4,5,6-tetrafluorobenzoic acid
6704-0017 Screening compound: 2-[(2,4-dimethylphenyl)amino]-3,4,5,6-tetrafluorobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6704-0017
2-[(2,4-dimethylphenyl)amino]-3,4,5,6-tetrafluorobenzoic 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

6704-0017

Molecular Formula

C15H11F4NO2 (C15 H11 F4 NO2)

Compound Name

2-[(2,4-dimethylphenyl)amino]-3,4,5,6-tetrafluorobenzoic acid

IUPAC name

2-[(24-dimethylphenyl)amino]-3456-tetrafluorobenzoic acid

SMILES

Cc(cc1)cc(C)c1Nc(c(C(O)=O)c(c(F)c1F)F)c1F

InChI

InChI=1S/C15H11F4NO2/c1-6-3-4-8(7(2)5-6)20-14-9(15(21)22)10(16)11(17)12(18)13(14)19/h3-5,20H,1-2H3,(H,21,22)

InChI Key

OIDGIWDNJSNGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.25

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

4.553

Distribution Coefficient, logD

-0.482

Water Solubility, LogSw

-4.35

Polar Surface Area

35.466

Acid Dissociation Constant (pKa)

2.37

Base Dissociation Constant (pKb)

-4.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6704-0017 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6704-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6704-0017?
Check Price and Availability of 6704-0017, 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 6704-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6704-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6704-0017
  • 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 6704-0017 available by request