3584-1064 Screening compound: (5E)-5-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

3584-1064 Screening compound: (5E)-5-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
3584-1064 Screening compound: (5E)-5-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-1064
(5E)-5-({3-chloro-5-ethoxy-4-[2-(3-methylphenoxy)ethoxy]phenyl}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

3584-1064

Molecular Formula

C22H22ClNO4S2 (C22 H22 ClNO4 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(/C=C(\C(N2C)=O)/SC2=S)cc(Cl)c1OCCOc1cc(C)ccc1

InChI

InChI=1S/C22H22ClNO4S2/c1-4-26-18-12-15(13-19-21(25)24(3)22(29)30-19)11-17(23)20(18)28-9-8-27-16-7-5-6-14(2)10-16/h5-7,10-13H,4,8-9H2,1-3H3

InChI Key

WLCCYMJFZPQOPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.01

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

5.267

Water Solubility, LogSw

-5.85

Polar Surface Area

38.427

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3584-1064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-1064?
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What is the minimum amount of 3584-1064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-1064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-1064
  • 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 3584-1064 available by request