2808-0728 Screening compound: 2-[(4-methylphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

2808-0728 Screening compound: 2-[(4-methylphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid
2808-0728 Screening compound: 2-[(4-methylphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2808-0728
2-[(4-methylphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic 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

2808-0728

Molecular Formula

C19H18F3NO3 (C19 H18 F3 NO3)

Compound Name

2-[(4-methylphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

IUPAC name

2-[(4-methylphenyl)methyl]-3-{[3-(trifluoromethyl)phenyl]carbamoyl}propanoic acid

SMILES

Cc1ccc(CC(CC(Nc2cccc(C(F)(F)F)c2)=O)C(O)=O)cc1

InChI

InChI=1S/C19H18F3NO3/c1-12-5-7-13(8-6-12)9-14(18(25)26)10-17(24)23-16-4-2-3-15(11-16)19(20,21)22/h2-8,11,14H,9-10H2,1H3,(H,23,24)(H,25,26)/t14-/m1/s1

InChI Key

ARRASWWBPLATOR-CQSZACIVSA-N

MDL Number (MFCD)

MFCD01932557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

1.711

Water Solubility, LogSw

-4.23

Polar Surface Area

51.524

Acid Dissociation Constant (pKa)

4.75

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

2808-0728 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 2808-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2808-0728?
Check Price and Availability of 2808-0728, 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 2808-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2808-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2808-0728
  • 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 2808-0728 available by request