3241-0900 Screening compound: (5Z)-5-({3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

3241-0900 Screening compound: (5Z)-5-({3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
3241-0900 Screening compound: (5Z)-5-({3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-0900
(5Z)-5-({3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-3-phenyl-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

3241-0900

Molecular Formula

C31H30ClNO4S2 (C31 H30 ClNO4 S2)

Compound Name

(5Z)-5-({3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-({3-chloro-4-[2-(4-cyclohexylphenoxy)ethoxy]-5-methoxyphenyl}methylidene)-3-phenyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(/C(N2c3ccccc3)=O)\SC2=S)cc(Cl)c1OCCOc1ccc(C2CCCCC2)cc1

InChI

InChI=1S/C31H30ClNO4S2/c1-35-27-19-21(20-28-30(34)33(31(38)39-28)24-10-6-3-7-11-24)18-26(32)29(27)37-17-16-36-25-14-12-23(13-15-25)22-8-4-2-5-9-22/h3,6-7,10-15,18-20,22H,2,4-5,8-9,16-17H2,1H3

InChI Key

UFISGXQKDFLJHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

580.17

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

8.196

Distribution Coefficient, logD

8.196

Water Solubility, LogSw

-6.50

Polar Surface Area

38.119

Acid Dissociation Constant (pKa)

24.51

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.00

3241-0900 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3241-0900 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3241-0900?
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What is the minimum amount of 3241-0900 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-0900
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-0900
  • 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 3241-0900 available by request