2534-6489 Screening compound: (5E)-3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

2534-6489 Screening compound: (5E)-3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
2534-6489 Screening compound: (5E)-3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2534-6489
(5E)-3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

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

2534-6489

Molecular Formula

C21H21NO6S (C21 H21 NO6 S)

Compound Name

(5E)-3-(4-ethoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-3-(4-ethoxyphenyl)-5-[(345-trimethoxyphenyl)methylidene]-13-thiazolidine-24-dione

SMILES

CCOc(cc1)ccc1N(C(/C(/S1)=C\c(cc2OC)cc(OC)c2OC)=O)C1=O

InChI

InChI=1S/C21H21NO6S/c1-5-28-15-8-6-14(7-9-15)22-20(23)18(29-21(22)24)12-13-10-16(25-2)19(27-4)17(11-13)26-3/h6-12H,5H2,1-4H3

InChI Key

MQHWJUZPUCZGID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01911617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.844

Distribution Coefficient, logD

3.844

Water Solubility, LogSw

-3.96

Polar Surface Area

59.086

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

2534-6489 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2534-6489 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2534-6489?
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What is the minimum amount of 2534-6489 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2534-6489
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2534-6489
  • 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 2534-6489 available by request