2324-0211 Screening compound: 2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(4Z)-1-(3-sulfonatopropyl)-1,4-dihydroquinolin-4-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-4-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium

2324-0211 Screening compound: 2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(4Z)-1-(3-sulfonatopropyl)-1,4-dihydroquinolin-4-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-4-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium
2324-0211 Screening compound: 2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(4Z)-1-(3-sulfonatopropyl)-1,4-dihydroquinolin-4-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-4-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0211
2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(4Z)-1-(3-sulfonatopropyl)-1,4-dihydroquinolin-4-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-4-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium

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

2324-0211

Molecular Formula

C32H32N3O7S4 (C32 H32 N3 O7 S4)

Compound Name

2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(4Z)-1-(3-sulfonatopropyl)-1,4-dihydroquinolin-4-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-4-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium

IUPAC name

2-{[(2Z5E)-3-ethyl-4-oxo-5-{2-[(4Z)-1-(3-sulfonatopropyl)-14-dihydroquinolin-4-ylidene]ethylidene}-13-thiazolidin-2-ylidene]methyl}-4-phenyl-3-(3-sulfonatopropyl)-13-thiazol-3-ium

SMILES

CCN(/C(/S/C1=C/C=C2\c(cccc3)c3N(CCCS([O-])(=O)=O)C=C2)=C/c2[n+](CCCS([O-])(=O)=O)c(-c3ccccc3)cs2)C1=O

InChI

InChI=1S/C32H33N3O7S4/c1-2-34-31(22-30-35(18-9-21-46(40,41)42)28(23-43-30)25-10-4-3-5-11-25)44-29(32(34)36)15-14-24-16-19-33(17-8-20-45(37,38)39)27-13-7-6-12-26(24)27/h3-7,10-16,19,22-23H,2,8-9,17-18,20-21H2,1H3,(H-,37,38,39,40,41,42)/p-1

InChI Key

UGRZQKCQVFVIHA-UHFFFAOYSA-M

MDL Number (MFCD)

MFCD01841166

Chemical and Physical Properties

Saltdata

K+

Molecular Weight

698.89

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.164

Distribution Coefficient, logD

2.164

Water Solubility, LogSw

-2.83

Polar Surface Area

103.686

Acid Dissociation Constant (pKa)

21.26

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2324-0211 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2324-0211 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2324-0211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0211
  • 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 2324-0211 available by request