5762-1927 Screening compound: 4-(3-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1-sulfonamide

5762-1927 Screening compound: 4-(3-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1-sulfonamide
5762-1927 Screening compound: 4-(3-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5762-1927
4-(3-{[(4E)-1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-ylidene]methyl}-2,5-dimethyl-1H-pyrrol-1-yl)benzene-1-sulfonamide

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

5762-1927

Molecular Formula

C22H19ClN4O4S (C22 H19 ClN4 O4 S)

Compound Name

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

IUPAC name

4-(3-{[(4E)-1-(3-chlorophenyl)-25-dioxoimidazolidin-4-ylidene]methyl}-25-dimethyl-1H-pyrrol-1-yl)benzene-1-sulfonamide

SMILES

Cc1cc(/C=C(\C(N2c3cccc(Cl)c3)=O)/NC2=O)c(C)n1-c(cc1)ccc1S(N)(=O)=O

InChI

InChI=1S/C22H19ClN4O4S/c1-13-10-15(14(2)26(13)17-6-8-19(9-7-17)32(24,30)31)11-20-21(28)27(22(29)25-20)18-5-3-4-16(23)12-18/h3-12H,1-2H3,(H,25,29)(H2,24,30,31)

InChI Key

MFYMVNMMMZHOKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03722601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

2.724

Water Solubility, LogSw

-3.68

Polar Surface Area

93.327

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-5.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

5762-1927 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 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 5762-1927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5762-1927?
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What is the minimum amount of 5762-1927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5762-1927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5762-1927
  • 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 5762-1927 available by request