3229-1674 Screening compound: (5E)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3229-1674 Screening compound: (5E)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
3229-1674 Screening compound: (5E)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3229-1674
(5E)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}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

3229-1674

Molecular Formula

C20H18N2O6S2 (C20 H18 N2 O6 S2)

Compound Name

(5E)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({3-ethoxy-4-[2-(4-nitrophenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCOc(cc(/C=C(\C(N1)=O)/SC1=S)cc1)c1OCCOc(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C20H18N2O6S2/c1-2-26-17-11-13(12-18-19(23)21-20(29)30-18)3-8-16(17)28-10-9-27-15-6-4-14(5-7-15)22(24)25/h3-8,11-12H,2,9-10H2,1H3,(H,21,23,29)

InChI Key

LWEJDWJMJFMSLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02108961

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

1.513

Water Solubility, LogSw

-3.54

Polar Surface Area

80.142

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 3229-1674 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3229-1674?
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What is the minimum amount of 3229-1674 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3229-1674
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3229-1674
  • 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 3229-1674 available by request