R091-0003 Screening compound: 2-[3-(trifluoromethyl)phenyl]acetic acid

R091-0003 Screening compound: 2-[3-(trifluoromethyl)phenyl]acetic acid
R091-0003 Screening compound: 2-[3-(trifluoromethyl)phenyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound R091-0003
2-[3-(trifluoromethyl)phenyl]acetic 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

R091-0003

Molecular Formula

C9H7F3O2 (C9 H7 F3 O2)

Compound Name

2-[3-(trifluoromethyl)phenyl]acetic acid

IUPAC name

2-[3-(trifluoromethyl)phenyl]acetic acid

SMILES

OC(Cc1cccc(C(F)(F)F)c1)=O

InChI

InChI=1S/C9H7F3O2/c10-9(11,12)7-3-1-2-6(4-7)5-8(13)14/h1-4H,5H2,(H,13,14)

InChI Key

BLXXCCIBGGBDHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00004339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

204.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.270

Distribution Coefficient, logD

-0.815

Water Solubility, LogSw

-2.28

Polar Surface Area

28.622

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

R091-0003 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cardiovascular
  • Cancer
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Kinases
  • Others
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with R091-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R091-0003?
Check Price and Availability of R091-0003, 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 R091-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R091-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R091-0003
  • 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 R091-0003 available by request