1543-0065 Screening compound: 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

1543-0065 Screening compound: 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate
1543-0065 Screening compound: 4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1543-0065
4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

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

1543-0065

Molecular Formula

C16H11NO6S (C16 H11 NO6 S)

Compound Name

4-{[(5E)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

IUPAC name

4-{[(5E)-24-dioxo-13-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl furan-2-carboxylate

SMILES

COc(cc(/C=C(\C(N1)=O)/SC1=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C16H11NO6S/c1-21-12-7-9(8-13-14(18)17-16(20)24-13)4-5-10(12)23-15(19)11-3-2-6-22-11/h2-8H,1H3,(H,17,18,20)/b13-8+

InChI Key

INEZCFOATYRSBW-MDWZMJQESA-N

MDL Number (MFCD)

MFCD00852844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.33

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.712

Distribution Coefficient, logD

1.678

Water Solubility, LogSw

-2.29

Polar Surface Area

74.581

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

1543-0065 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 1543-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1543-0065?
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What is the minimum amount of 1543-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1543-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1543-0065
  • 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 1543-0065 available by request