4489-1563 Screening compound: (5E)-5-({2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl}methylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

4489-1563 Screening compound: (5E)-5-({2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl}methylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
4489-1563 Screening compound: (5E)-5-({2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl}methylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4489-1563
(5E)-5-({2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl}methylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-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

4489-1563

Molecular Formula

C28H16Cl2F3NO2S2 (C28 H16 Cl2 F3 NO2 S2)

Compound Name

(5E)-5-({2-[(2,4-dichlorophenyl)methoxy]naphthalen-1-yl}methylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({2-[(24-dichlorophenyl)methoxy]naphthalen-1-yl}methylidene)-2-sulfanylidene-3-[3-(trifluoromethyl)phenyl]-13-thiazolidin-4-one

SMILES

O=C(/C(/SC1=S)=C\c(c2ccccc2cc2)c2OCc(ccc(Cl)c2)c2Cl)N1c1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C28H16Cl2F3NO2S2/c29-19-10-8-17(23(30)13-19)15-36-24-11-9-16-4-1-2-7-21(16)22(24)14-25-26(35)34(27(37)38-25)20-6-3-5-18(12-20)28(31,32)33/h1-14H,15H2

InChI Key

NNQDCTMZZNXLDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03548755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.47

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

8.711

Distribution Coefficient, logD

8.711

Water Solubility, LogSw

-6.95

Polar Surface Area

22.874

Acid Dissociation Constant (pKa)

28.57

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

4489-1563 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4489-1563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4489-1563?
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What is the minimum amount of 4489-1563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4489-1563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4489-1563
  • 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 4489-1563 available by request