8008-1523 Screening compound: 4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

8008-1523 Screening compound: 4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid
8008-1523 Screening compound: 4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1523
4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic 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

8008-1523

Molecular Formula

C13H11NO3S2 (C13 H11 NO3 S2)

Compound Name

4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}benzoic acid

IUPAC name

4-{[(5Z)-3-ethyl-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}benzoic acid

SMILES

CCN(C(/C(/S1)=C/c(cc2)ccc2C(O)=O)=O)C1=S

InChI

InChI=1S/C13H11NO3S2/c1-2-14-11(15)10(19-13(14)18)7-8-3-5-9(6-4-8)12(16)17/h3-7H,2H2,1H3,(H,16,17)

InChI Key

CEETYXVJXDXKBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01363398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.955

Distribution Coefficient, logD

-0.652

Water Solubility, LogSw

-3.14

Polar Surface Area

44.847

Acid Dissociation Constant (pKa)

3.79

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

8008-1523 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8008-1523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1523?
Check Price and Availability of 8008-1523, 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 8008-1523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1523
  • 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 8008-1523 available by request