1996-0046 Screening compound: (5Z)-3-(3-chlorophenyl)-5-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

1996-0046 Screening compound: (5Z)-3-(3-chlorophenyl)-5-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
1996-0046 Screening compound: (5Z)-3-(3-chlorophenyl)-5-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0046
(5Z)-3-(3-chlorophenyl)-5-({3-[(4-chlorophenyl)methoxy]phenyl}methylidene)-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

1996-0046

Molecular Formula

C23H15Cl2NO2S2 (C23 H15 Cl2 NO2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/SC1=S)=C/c2cc(OCc(cc3)ccc3Cl)ccc2)N1c1cccc(Cl)c1

InChI

InChI=1S/C23H15Cl2NO2S2/c24-17-9-7-15(8-10-17)14-28-20-6-1-3-16(11-20)12-21-22(27)26(23(29)30-21)19-5-2-4-18(25)13-19/h1-13H,14H2

InChI Key

NPJZTPJBRDPDFY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.569

Distribution Coefficient, logD

6.569

Water Solubility, LogSw

-6.52

Polar Surface Area

23.058

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-0.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 1996-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0046?
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What is the minimum amount of 1996-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0046
  • 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 1996-0046 available by request