1996-0007 Screening compound: 2-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

1996-0007 Screening compound: 2-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
1996-0007 Screening compound: 2-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1996-0007
2-[(5Z)-5-({4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic 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

1996-0007

Molecular Formula

C21H18ClNO5S2 (C21 H18 ClNO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(/C=C(/C(N1CC(O)=O)=O)\SC1=S)cc1)c1OCc(cc1)ccc1Cl

InChI

InChI=1S/C21H18ClNO5S2/c1-2-27-17-9-14(10-18-20(26)23(11-19(24)25)21(29)30-18)5-8-16(17)28-12-13-3-6-15(22)7-4-13/h3-10H,2,11-12H2,1H3,(H,24,25)

InChI Key

OMCYCIJCJNEGBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01152077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

0.007

Water Solubility, LogSw

-3.48

Polar Surface Area

59.622

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

1996-0007 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1996-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1996-0007?
Check Price and Availability of 1996-0007, 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 1996-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1996-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1996-0007
  • 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 1996-0007 available by request