1588-0042 Screening compound: 2-[(5Z)-5-{[3-(FURAN-2-CARBONYLOXY)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID

1588-0042 Screening compound: 2-[(5Z)-5-{[3-(FURAN-2-CARBONYLOXY)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID
1588-0042 Screening compound: 2-[(5Z)-5-{[3-(FURAN-2-CARBONYLOXY)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 1588-0042
2-[(5Z)-5-{[3-(FURAN-2-CARBONYLOXY)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID

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

1588-0042

Molecular Formula

C17H11NO6S2 (C17 H11 NO6 S2)

Compound Name

2-[(5Z)-5-{[3-(FURAN-2-CARBONYLOXY)PHENYL]METHYLIDENE}-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID

IUPAC name

2-[(5Z)-5-{[3-(furan-2-carbonyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C/c2cc(OC(c3ccco3)=O)ccc2)=O)C1=S)=O

InChI

InChI=1S/C17H11NO6S2/c19-14(20)9-18-15(21)13(26-17(18)25)8-10-3-1-4-11(7-10)24-16(22)12-5-2-6-23-12/h1-8H,9H2,(H,19,20)

InChI Key

XASBEHKDPVRWHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930978

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

-1.762

Water Solubility, LogSw

-2.11

Polar Surface Area

74.054

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

1588-0042 in Drug Discovery

Included in Screening Libraries

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

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 1588-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1588-0042?
Check Price and Availability of 1588-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1588-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1588-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1588-0042
  • 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 1588-0042 available by request