4489-1461 Screening compound: (5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

4489-1461 Screening compound: (5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
4489-1461 Screening compound: (5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-1461
(5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-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

4489-1461

Molecular Formula

C20H15BrClNO2S2 (C20 H15 BrClNO2 S2)

Compound Name

(5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({5-bromo-2-[(2-chlorophenyl)methoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

C=CCN(C(/C(/S1)=C\c(cc(cc2)Br)c2OCc(cccc2)c2Cl)=O)C1=S

InChI

InChI=1S/C20H15BrClNO2S2/c1-2-9-23-19(24)18(27-20(23)26)11-14-10-15(21)7-8-17(14)25-12-13-5-3-4-6-16(13)22/h2-8,10-11H,1,9,12H2

InChI Key

WQPZTMFQZUJXSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02121476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.346

Distribution Coefficient, logD

6.346

Water Solubility, LogSw

-6.24

Polar Surface Area

24.006

Acid Dissociation Constant (pKa)

29.01

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with 4489-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-1461?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-1461
  • 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 4489-1461 available by request