3584-0778 Screening compound: (5E)-5-({2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3584-0778 Screening compound: (5E)-5-({2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
3584-0778 Screening compound: (5E)-5-({2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-0778
(5E)-5-({2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-3-methyl-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

3584-0778

Molecular Formula

C21H20N2O5S2 (C21 H20 N2 O5 S2)

Compound Name

(5E)-5-({2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({2-[2-(34-dimethylphenoxy)ethoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1)c(C)cc1OCCOc(cc1)c(/C=C(\C(N2C)=O)/SC2=S)cc1[N+]([O-])=O

InChI

InChI=1S/C21H20N2O5S2/c1-13-4-6-17(10-14(13)2)27-8-9-28-18-7-5-16(23(25)26)11-15(18)12-19-20(24)22(3)21(29)30-19/h4-7,10-12H,8-9H2,1-3H3

InChI Key

SCJOJUMLUYTXGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.301

Distribution Coefficient, logD

5.301

Water Solubility, LogSw

-5.31

Polar Surface Area

64.512

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3584-0778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-0778?
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What is the minimum amount of 3584-0778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-0778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-0778
  • 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 3584-0778 available by request