3241-0379 Screening compound: (5Z)-5-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

3241-0379 Screening compound: (5Z)-5-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
3241-0379 Screening compound: (5Z)-5-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-0379
(5Z)-5-({3-methoxy-4-[2-(4-nitrophenoxy)ethoxy]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

3241-0379

Molecular Formula

C22H20N2O6S2 (C22 H20 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(/C=C(/C(N1CC=C)=O)\SC1=S)cc1)c1OCCOc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C22H20N2O6S2/c1-3-10-23-21(25)20(32-22(23)31)14-15-4-9-18(19(13-15)28-2)30-12-11-29-17-7-5-16(6-8-17)24(26)27/h3-9,13-14H,1,10-12H2,2H3

InChI Key

VKABDNOEXOHLPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.345

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.48

Polar Surface Area

72.355

Acid Dissociation Constant (pKa)

30.46

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3241-0379 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 3241-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3241-0379?
Check Price and Availability of 3241-0379, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3241-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-0379
  • 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 3241-0379 available by request