2324-0213 Screening compound: 2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(2Z)-4-phenyl-3-(3-sulfopropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-5-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium

2324-0213 Screening compound: 2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(2Z)-4-phenyl-3-(3-sulfopropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-5-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium
2324-0213 Screening compound: 2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(2Z)-4-phenyl-3-(3-sulfopropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-5-phenyl-3-(3-sulfonatopropyl)-1,3-thiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 2324-0213
2-{[(2Z,5E)-3-ethyl-4-oxo-5-{2-[(2Z)-4-phenyl-3-(3-sulfopropyl)-2,3-dihydro-1,3-thiazol-2-ylidene]ethylidene}-1,3-thiazolidin-2-ylidene]methyl}-5-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

2324-0213

Molecular Formula

C32H33N3O7S5 (C32 H33 N3 O7 S5)

Compound Name

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

IUPAC name

2-{[(2Z5E)-3-ethyl-4-oxo-5-{2-[(2Z)-4-phenyl-3-(3-sulfopropyl)-23-dihydro-13-thiazol-2-ylidene]ethylidene}-13-thiazolidin-2-ylidene]methyl}-5-phenyl-3-(3-sulfonatopropyl)-13-thiazol-3-ium

SMILES

CCN(/C(/S/C1=C/C=C2\SC=C(c3ccccc3)N2CCCS(O)(=O)=O)=C/c2[n+](CCCS([O-])(=O)=O)cc(-c3ccccc3)s2)C1=O

InChI

InChI=1S/C32H33N3O7S5/c1-2-34-31(21-30-33(17-9-19-46(37,38)39)22-28(45-30)25-13-7-4-8-14-25)44-27(32(34)36)15-16-29-35(18-10-20-47(40,41)42)26(23-43-29)24-11-5-3-6-12-24/h3-8,11-16,21-23H,2,9-10,17-20H2,1H3,(H-,37,38,39,40,41,42)

InChI Key

RZZRVJUAGQRJMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01841167

Chemical and Physical Properties

Saltdata

(C2H5)3N

Molecular Weight

731.96

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

-6.311

Water Solubility, LogSw

-3.15

Polar Surface Area

104.942

Acid Dissociation Constant (pKa)

-2.03

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

2324-0213 in Drug Discovery

Included in Screening Libraries

?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 2324-0213 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2324-0213
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  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2324-0213
  • 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 2324-0213 available by request