3358-3532 Screening compound: 2-[(5E)-5-({4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid

3358-3532 Screening compound: 2-[(5E)-5-({4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
3358-3532 Screening compound: 2-[(5E)-5-({4-[(3,4-dichlorophenyl)methoxy]-3-ethoxyphenyl}methylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3358-3532
2-[(5E)-5-({4-[(3,4-dichlorophenyl)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

3358-3532

Molecular Formula

C21H17Cl2NO5S2 (C21 H17 Cl2 NO5 S2)

Compound Name

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

IUPAC name

2-[(5E)-5-({4-[(34-dichlorophenyl)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)cc(Cl)c1Cl

InChI

InChI=1S/C21H17Cl2NO5S2/c1-2-28-17-8-12(9-18-20(27)24(10-19(25)26)21(30)31-18)4-6-16(17)29-11-13-3-5-14(22)15(23)7-13/h3-9H,2,10-11H2,1H3,(H,25,26)

InChI Key

BKXRKKGYKIZGCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.41

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

3.898

Distribution Coefficient, logD

0.779

Water Solubility, LogSw

-4.11

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

3358-3532 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 3358-3532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3358-3532?
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What is the minimum amount of 3358-3532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3358-3532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3358-3532
  • 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 3358-3532 available by request