3241-0805 Screening compound: (5Z)-5-[(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

3241-0805 Screening compound: (5Z)-5-[(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
3241-0805 Screening compound: (5Z)-5-[(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-0805
(5Z)-5-[(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)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

3241-0805

Molecular Formula

C29H28ClNO4S2 (C29 H28 ClNO4 S2)

Compound Name

(5Z)-5-[(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-[(3-chloro-5-methoxy-4-{2-[5-methyl-2-(propan-2-yl)phenoxy]ethoxy}phenyl)methylidene]-3-phenyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CC(C)c(ccc(C)c1)c1OCCOc(c(OC)cc(/C=C(/C(N1c2ccccc2)=O)\SC1=S)c1)c1Cl

InChI

InChI=1S/C29H28ClNO4S2/c1-18(2)22-11-10-19(3)14-24(22)34-12-13-35-27-23(30)15-20(16-25(27)33-4)17-26-28(32)31(29(36)37-26)21-8-6-5-7-9-21/h5-11,14-18H,12-13H2,1-4H3

InChI Key

IOJQLYKNFSHVQN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109308

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.13

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

7.570

Distribution Coefficient, logD

7.570

Water Solubility, LogSw

-6.35

Polar Surface Area

38.285

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

3241-0805 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 3241-0805 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3241-0805?
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What is the minimum amount of 3241-0805 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-0805
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-0805
  • 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 3241-0805 available by request