3229-2092 Screening compound: 2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid

3229-2092 Screening compound: 2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid
3229-2092 Screening compound: 2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-2092
2-(4-{[(5E)-3-(carboxymethyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-ethoxyphenoxy)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

3229-2092

Molecular Formula

C16H15NO7S2 (C16 H15 NO7 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(\C(N1CC(O)=O)=O)/SC1=S)cc1)c1OCC(O)=O

InChI

InChI=1S/C16H15NO7S2/c1-2-23-11-5-9(3-4-10(11)24-8-14(20)21)6-12-15(22)17(7-13(18)19)16(25)26-12/h3-6H,2,7-8H2,1H3,(H,18,19)(H,20,21)

InChI Key

YNCBIKOEOBCJQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01963650

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.407

Distribution Coefficient, logD

-3.830

Water Solubility, LogSw

-1.98

Polar Surface Area

88.278

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 3229-2092 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-2092?
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What is the minimum amount of 3229-2092 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-2092
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-2092
  • 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 3229-2092 available by request