3241-0597 Screening compound: (5Z)-5-({3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

3241-0597 Screening compound: (5Z)-5-({3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
3241-0597 Screening compound: (5Z)-5-({3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3241-0597
(5Z)-5-({3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-ethyl-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

3241-0597

Molecular Formula

C22H22BrNO4S2 (C22 H22 BrNO4 S2)

Compound Name

(5Z)-5-({3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-({3-bromo-5-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl}methylidene)-3-ethyl-2-sulfanylidene-13-thiazolidin-4-one

SMILES

CCN(C(/C(/S1)=C/c(cc2OC)cc(Br)c2OCCOc2c(C)cccc2)=O)C1=S

InChI

InChI=1S/C22H22BrNO4S2/c1-4-24-21(25)19(30-22(24)29)13-15-11-16(23)20(18(12-15)26-3)28-10-9-27-17-8-6-5-7-14(17)2/h5-8,11-13H,4,9-10H2,1-3H3

InChI Key

IUOAWEGDCTVYID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.46

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

5.443

Distribution Coefficient, logD

5.443

Water Solubility, LogSw

-5.31

Polar Surface Area

38.893

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with 3241-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3241-0597?
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What is the minimum amount of 3241-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3241-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3241-0597
  • 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 3241-0597 available by request