8012-9107 Screening compound: 4-({[4-(trifluoromethyl)phenyl]formamido}methyl)benzoic acid

8012-9107 Screening compound: 4-({[4-(trifluoromethyl)phenyl]formamido}methyl)benzoic acid
8012-9107 Screening compound: 4-({[4-(trifluoromethyl)phenyl]formamido}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9107
4-({[4-(trifluoromethyl)phenyl]formamido}methyl)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

8012-9107

Molecular Formula

C16H12F3NO3 (C16 H12 F3 NO3)

Compound Name

4-({[4-(trifluoromethyl)phenyl]formamido}methyl)benzoic acid

IUPAC name

4-({[4-(trifluoromethyl)phenyl]formamido}methyl)benzoic acid

SMILES

OC(c1ccc(CNC(c2ccc(C(F)(F)F)cc2)=O)cc1)=O

InChI

InChI=1S/C16H12F3NO3/c17-16(18,19)13-7-5-11(6-8-13)14(21)20-9-10-1-3-12(4-2-10)15(22)23/h1-8H,9H2,(H,20,21)(H,22,23)

InChI Key

OVTGRKNVGAQYKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.408

Distribution Coefficient, logD

0.436

Water Solubility, LogSw

-3.42

Polar Surface Area

53.060

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8012-9107 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Antibacterial Compounds Library (13827 compounds)

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

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • Nuclear receptors
  • Phosphatases

References: we are preparing a list of scientific research reports with 8012-9107 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9107?
Check Price and Availability of 8012-9107, 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 8012-9107 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9107
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9107
  • 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 8012-9107 available by request