1543-0192 Screening compound: methyl 4-{[(5E)-3-{[(4-methoxyphenyl)amino]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

1543-0192 Screening compound: methyl 4-{[(5E)-3-{[(4-methoxyphenyl)amino]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate
1543-0192 Screening compound: methyl 4-{[(5E)-3-{[(4-methoxyphenyl)amino]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1543-0192
methyl 4-{[(5E)-3-{[(4-methoxyphenyl)amino]methyl}-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}benzoate

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

1543-0192

Molecular Formula

C20H18N2O5S (C20 H18 N2 O5 S)

Compound Name

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

IUPAC name

methyl 4-{[(5E)-3-{[(4-methoxyphenyl)amino]methyl}-24-dioxo-13-thiazolidin-5-ylidene]methyl}benzoate

SMILES

COC(c1ccc(/C=C(\C(N2CNc(cc3)ccc3OC)=O)/SC2=O)cc1)=O

InChI

InChI=1S/C20H18N2O5S/c1-26-16-9-7-15(8-10-16)21-12-22-18(23)17(28-20(22)25)11-13-3-5-14(6-4-13)19(24)27-2/h3-11,21H,12H2,1-2H3

InChI Key

ROCZRSXYXGMQJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00852191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.191

Distribution Coefficient, logD

4.191

Water Solubility, LogSw

-4.23

Polar Surface Area

69.473

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 1543-0192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1543-0192?
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What is the minimum amount of 1543-0192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1543-0192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1543-0192
  • 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 1543-0192 available by request