5839-1843 Screening compound: 4-(2-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

5839-1843 Screening compound: 4-(2-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
5839-1843 Screening compound: 4-(2-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5839-1843
4-(2-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)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

5839-1843

Molecular Formula

C21H14ClN3O4 (C21 H14 ClN3 O4)

Compound Name

4-(2-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

IUPAC name

4-(2-{[(4E)-1-(3-chlorophenyl)-25-dioxoimidazolidin-4-ylidene]methyl}-1H-pyrrol-1-yl)benzoic acid

SMILES

OC(c(cc1)ccc1-n1c(/C=C(\C(N2c3cccc(Cl)c3)=O)/NC2=O)ccc1)=O

InChI

InChI=1S/C21H14ClN3O4/c22-14-3-1-4-17(11-14)25-19(26)18(23-21(25)29)12-16-5-2-10-24(16)15-8-6-13(7-9-15)20(27)28/h1-12H,(H,23,29)(H,27,28)

InChI Key

IKVPOLNVUFKFCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03923019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.81

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.269

Distribution Coefficient, logD

1.382

Water Solubility, LogSw

-4.47

Polar Surface Area

70.996

Acid Dissociation Constant (pKa)

4.51

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

5839-1843 in Drug Discovery

Included in Screening Libraries

Human Ion Channels Annotated Library (353 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5839-1843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5839-1843?
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What is the minimum amount of 5839-1843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5839-1843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5839-1843
  • 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 5839-1843 available by request