5340-0876 Screening compound: 2-[2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid

5340-0876 Screening compound: 2-[2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid
5340-0876 Screening compound: 2-[2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5340-0876
2-[2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]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

5340-0876

Molecular Formula

C26H23FN2O3 (C26 H23 FN2 O3)

Compound Name

2-[2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-2,5-dihydro-1H-pyrrol-3-yl]acetic acid

IUPAC name

2-[2-(4-fluorophenyl)-1-(4-methylphenyl)-4-[(4-methylphenyl)amino]-5-oxo-25-dihydro-1H-pyrrol-3-yl]acetic acid

SMILES

Cc(cc1)ccc1NC(C1=O)=C(CC(O)=O)C(c(cc2)ccc2F)N1c1ccc(C)cc1

InChI

InChI=1S/C26H23FN2O3/c1-16-3-11-20(12-4-16)28-24-22(15-23(30)31)25(18-7-9-19(27)10-8-18)29(26(24)32)21-13-5-17(2)6-14-21/h3-14,25,28H,15H2,1-2H3,(H,30,31)/t25-/m1/s1

InChI Key

WDXUFGNIWPKZQR-RUZDIDTESA-N

MDL Number (MFCD)

MFCD02158654

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.011

Distribution Coefficient, logD

2.249

Water Solubility, LogSw

-4.55

Polar Surface Area

53.173

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

5340-0876 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5340-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5340-0876?
Check Price and Availability of 5340-0876, 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 5340-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5340-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5340-0876
  • 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 5340-0876 available by request