1996-0005 Screening compound: (2Z,5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one

1996-0005 Screening compound: (2Z,5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one
1996-0005 Screening compound: (2Z,5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-2-(phenylimino)-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0005
(2Z,5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-2-(phenylimino)-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

1996-0005

Molecular Formula

C25H21ClN2O3S (C25 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

(2Z5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-2-(phenylimino)-13-thiazolidin-4-one

SMILES

CCOc(cc(/C=C(/C(N1)=O)\S/C1=N\c1ccccc1)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C25H21ClN2O3S/c1-2-30-22-14-18(10-13-21(22)31-16-17-8-11-19(26)12-9-17)15-23-24(29)28-25(32-23)27-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3,(H,27,28,29)

InChI Key

WWJUVYLUEOPOHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931120

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-5.41

Polar Surface Area

47.677

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

1996-0005 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 1996-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0005?
Check Price and Availability of 1996-0005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1996-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0005
  • 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 1996-0005 available by request