1543-0194 Screening compound: (5E)-3-{[(2-bromophenyl)amino]methyl}-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

1543-0194 Screening compound: (5E)-3-{[(2-bromophenyl)amino]methyl}-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
1543-0194 Screening compound: (5E)-3-{[(2-bromophenyl)amino]methyl}-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1543-0194
(5E)-3-{[(2-bromophenyl)amino]methyl}-5-[(4-ethoxyphenyl)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

1543-0194

Molecular Formula

C19H17BrN2O3S (C19 H17 BrN2 O3 S)

Compound Name

(5E)-3-{[(2-bromophenyl)amino]methyl}-5-[(4-ethoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione

IUPAC name

(5E)-3-{[(2-bromophenyl)amino]methyl}-5-[(4-ethoxyphenyl)methylidene]-13-thiazolidine-24-dione

SMILES

CCOc1ccc(/C=C(\C(N2CNc(cccc3)c3Br)=O)/SC2=O)cc1

InChI

InChI=1S/C19H17BrN2O3S/c1-2-25-14-9-7-13(8-10-14)11-17-18(23)22(19(24)26-17)12-21-16-6-4-3-5-15(16)20/h3-11,21H,2,12H2,1H3

InChI Key

VQUOBFXGTNHICE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00851249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.933

Distribution Coefficient, logD

4.933

Water Solubility, LogSw

-4.43

Polar Surface Area

47.181

Acid Dissociation Constant (pKa)

18.30

Base Dissociation Constant (pKb)

4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

1543-0194 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1543-0194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1543-0194?
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What is the minimum amount of 1543-0194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1543-0194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1543-0194
  • 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 1543-0194 available by request