3229-2133 Screening compound: 2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

3229-2133 Screening compound: 2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid
3229-2133 Screening compound: 2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2133
2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)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

3229-2133

Molecular Formula

C14H11NO6S2 (C14 H11 NO6 S2)

Compound Name

2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

IUPAC name

2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenoxy)acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c(cc2)ccc2OCC(O)=O)=O)C1=S)=O

InChI

InChI=1S/C14H11NO6S2/c16-11(17)6-15-13(20)10(23-14(15)22)5-8-1-3-9(4-2-8)21-7-12(18)19/h1-5H,6-7H2,(H,16,17)(H,18,19)

InChI Key

LKQMHBRJMJFCSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.536

Distribution Coefficient, logD

-3.701

Water Solubility, LogSw

-1.82

Polar Surface Area

80.981

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

3229-2133 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

New Agro Library (44492 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3229-2133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2133?
Check Price and Availability of 3229-2133, 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 3229-2133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2133
  • 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 3229-2133 available by request