1588-0045 Screening compound: 3-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate

1588-0045 Screening compound: 3-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate
1588-0045 Screening compound: 3-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0045
3-{[(5Z)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 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

1588-0045

Molecular Formula

C15H9NO5S (C15 H9 NO5 S)

Compound Name

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

IUPAC name

3-{[(5Z)-24-dioxo-13-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc1cccc(/C=C(/C(N2)=O)\SC2=O)c1

InChI

InChI=1S/C15H9NO5S/c17-13-12(22-15(19)16-13)8-9-3-1-4-10(7-9)21-14(18)11-5-2-6-20-11/h1-8H,(H,16,17,19)

InChI Key

JOXYQPMYDWRLRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01454958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.31

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.639

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-2.25

Polar Surface Area

66.864

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1588-0045 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1588-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0045?
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What is the minimum amount of 1588-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0045
  • 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 1588-0045 available by request