8018-0291 Screening compound: 2-methoxy-4-(trifluoromethyl)benzoic acid

8018-0291 Screening compound: 2-methoxy-4-(trifluoromethyl)benzoic acid
8018-0291 Screening compound: 2-methoxy-4-(trifluoromethyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-0291
2-methoxy-4-(trifluoromethyl)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

8018-0291

Molecular Formula

C9H7F3O3 (C9 H7 F3 O3)

Compound Name

2-methoxy-4-(trifluoromethyl)benzoic acid

IUPAC name

2-methoxy-4-(trifluoromethyl)benzoic acid

SMILES

COc(cc(C(F)(F)F)cc1)c1C(O)=O

InChI

InChI=1S/C9H7F3O3/c1-15-7-4-5(9(10,11)12)2-3-6(7)8(13)14/h2-4H,1H3,(H,13,14)

InChI Key

QWRIRBUKLBWVNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04115976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

220.15

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.580

Distribution Coefficient, logD

-0.533

Water Solubility, LogSw

-2.66

Polar Surface Area

36.277

Acid Dissociation Constant (pKa)

4.29

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

8018-0291 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 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:
  • Eye
  • 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
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8018-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-0291?
Check Price and Availability of 8018-0291, 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 8018-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-0291
  • 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 8018-0291 available by request