3453-1633 Screening compound: 6-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

3453-1633 Screening compound: 6-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
3453-1633 Screening compound: 6-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1633
6-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic 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

3453-1633

Molecular Formula

C18H21NO4S2 (C18 H21 NO4 S2)

Compound Name

6-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5E)-5-[(2-ethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

CCOc1c(/C=C(\C(N2CCCCCC(O)=O)=O)/SC2=S)cccc1

InChI

InChI=1S/C18H21NO4S2/c1-2-23-14-9-6-5-8-13(14)12-15-17(22)19(18(24)25-15)11-7-3-4-10-16(20)21/h5-6,8-9,12H,2-4,7,10-11H2,1H3,(H,20,21)

InChI Key

PQYWGMWQZITRDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.666

Distribution Coefficient, logD

0.838

Water Solubility, LogSw

-3.82

Polar Surface Area

52.286

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with 3453-1633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1633?
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What is the minimum amount of 3453-1633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1633
  • 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 3453-1633 available by request