4393-0356 Screening compound: 3-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

4393-0356 Screening compound: 3-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid
4393-0356 Screening compound: 3-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4393-0356
3-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]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

4393-0356

Molecular Formula

C21H18FNO5 (C21 H18 FNO5)

Compound Name

3-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-2,5-dihydro-1H-pyrrol-1-yl]propanoic acid

IUPAC name

3-[2-(4-fluorophenyl)-4-hydroxy-3-(4-methylbenzoyl)-5-oxo-25-dihydro-1H-pyrrol-1-yl]propanoic acid

SMILES

Cc(cc1)ccc1C(C(C(c(cc1)ccc1F)N(CCC(O)=O)C1=O)=C1O)=O

InChI

InChI=1S/C21H18FNO5/c1-12-2-4-14(5-3-12)19(26)17-18(13-6-8-15(22)9-7-13)23(11-10-16(24)25)21(28)20(17)27/h2-9,18,27H,10-11H2,1H3,(H,24,25)/t18-/m1/s1

InChI Key

OJAYNXZTRFOAJT-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02231033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.136

Distribution Coefficient, logD

-0.560

Water Solubility, LogSw

-2.58

Polar Surface Area

73.461

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

4393-0356 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 4393-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4393-0356?
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What is the minimum amount of 4393-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4393-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4393-0356
  • 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 4393-0356 available by request