3453-1645 Screening compound: 6-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

3453-1645 Screening compound: 6-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
3453-1645 Screening compound: 6-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3453-1645
6-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}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

3453-1645

Molecular Formula

C24H24ClNO5S2 (C24 H24 ClNO5 S2)

Compound Name

6-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

COc(cc(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C24H24ClNO5S2/c1-30-20-13-17(8-11-19(20)31-15-16-6-9-18(25)10-7-16)14-21-23(29)26(24(32)33-21)12-4-2-3-5-22(27)28/h6-11,13-14H,2-5,12,15H2,1H3,(H,27,28)

InChI Key

LUYFASFFIVFGLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02332363

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.757

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-4.87

Polar Surface Area

60.021

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

3453-1645 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3453-1645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3453-1645?
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What is the minimum amount of 3453-1645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3453-1645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3453-1645
  • 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 3453-1645 available by request