3241-1014 Screening compound: (5Z)-3-benzyl-5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-iodo-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3241-1014 Screening compound: (5Z)-3-benzyl-5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-iodo-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
3241-1014 Screening compound: (5Z)-3-benzyl-5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-iodo-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-1014
(5Z)-3-benzyl-5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-iodo-5-methoxyphenyl}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

3241-1014

Molecular Formula

C28H26INO4S2 (C28 H26 INO4 S2)

Compound Name

(5Z)-3-benzyl-5-({4-[2-(3,4-dimethylphenoxy)ethoxy]-3-iodo-5-methoxyphenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-3-benzyl-5-({4-[2-(34-dimethylphenoxy)ethoxy]-3-iodo-5-methoxyphenyl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1)c(C)cc1OCCOc(c(OC)cc(/C=C(/C(N1Cc2ccccc2)=O)\SC1=S)c1)c1I

InChI

InChI=1S/C28H26INO4S2/c1-18-9-10-22(13-19(18)2)33-11-12-34-26-23(29)14-21(15-24(26)32-3)16-25-27(31)30(28(35)36-25)17-20-7-5-4-6-8-20/h4-10,13-16H,11-12,17H2,1-3H3

InChI Key

QBODNCDDLYKBMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

631.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.606

Distribution Coefficient, logD

7.606

Water Solubility, LogSw

-5.59

Polar Surface Area

38.810

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3241-1014 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 3241-1014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3241-1014?
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What is the minimum amount of 3241-1014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-1014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-1014
  • 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 3241-1014 available by request