1996-0022 Screening compound: (5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

1996-0022 Screening compound: (5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
1996-0022 Screening compound: (5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0022
(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

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

1996-0022

Molecular Formula

C26H22ClNO4S2 (C26 H22 ClNO4 S2)

Compound Name

(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-3-(4-methoxyphenyl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCOc(cc(/C=C(/C(N1c(cc2)ccc2OC)=O)\SC1=S)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C26H22ClNO4S2/c1-3-31-23-14-18(6-13-22(23)32-16-17-4-7-19(27)8-5-17)15-24-25(29)28(26(33)34-24)20-9-11-21(30-2)12-10-20/h4-15H,3,16H2,1-2H3

InChI Key

LESGWZYGKZCTPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.808

Distribution Coefficient, logD

5.808

Water Solubility, LogSw

-6.20

Polar Surface Area

37.899

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

1.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

1996-0022 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1996-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0022?
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What is the minimum amount of 1996-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0022
  • 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 1996-0022 available by request