3241-0804 Screening compound: (5Z)-5-{[3-iodo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3241-0804 Screening compound: (5Z)-5-{[3-iodo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
3241-0804 Screening compound: (5Z)-5-{[3-iodo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-0804
(5Z)-5-{[3-iodo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(prop-2-en-1-yl)-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

3241-0804

Molecular Formula

C22H20INO4S2 (C22 H20 INO4 S2)

Compound Name

(5Z)-5-{[3-iodo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[3-iodo-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc1cc(/C=C(/C(N2CC=C)=O)\SC2=S)cc(I)c1OCCOc1ccccc1

InChI

InChI=1S/C22H20INO4S2/c1-3-9-24-21(25)19(30-22(24)29)14-15-12-17(23)20(18(13-15)26-2)28-11-10-27-16-7-5-4-6-8-16/h3-8,12-14H,1,9-11H2,2H3

InChI Key

XMVQWYZVHIIOSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.44

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

5.425

Distribution Coefficient, logD

5.425

Water Solubility, LogSw

-5.35

Polar Surface Area

39.060

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with 3241-0804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3241-0804?
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What is the minimum amount of 3241-0804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-0804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-0804
  • 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 3241-0804 available by request