3584-1835 Screening compound: (5E)-5-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3584-1835 Screening compound: (5E)-5-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
3584-1835 Screening compound: (5E)-5-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)ethoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3584-1835
(5E)-5-({3-bromo-5-ethoxy-4-[2-(3-methoxyphenoxy)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

3584-1835

Molecular Formula

C21H20BrNO5S2 (C21 H20 BrNO5 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc1cc(/C=C(\C(N2)=O)/SC2=S)cc(Br)c1OCCOc1cc(OC)ccc1

InChI

InChI=1S/C21H20BrNO5S2/c1-3-26-17-10-13(11-18-20(24)23-21(29)30-18)9-16(22)19(17)28-8-7-27-15-6-4-5-14(12-15)25-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,23,24,29)

InChI Key

XSJNBMFGATYJIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.915

Distribution Coefficient, logD

2.564

Water Solubility, LogSw

-4.11

Polar Surface Area

54.391

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

-0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 3584-1835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3584-1835?
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What is the minimum amount of 3584-1835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3584-1835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3584-1835
  • 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 3584-1835 available by request