3358-3549 Screening compound: (5E)-5-({3-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one

3358-3549 Screening compound: (5E)-5-({3-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one
3358-3549 Screening compound: (5E)-5-({3-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-phenyl-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3358-3549
(5E)-5-({3-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-phenyl-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

3358-3549

Molecular Formula

C27H19NO2S2 (C27 H19 NO2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/SC1=S)=C\c2cc(OCc3cccc4ccccc34)ccc2)N1c1ccccc1

InChI

InChI=1S/C27H19NO2S2/c29-26-25(32-27(31)28(26)22-12-2-1-3-13-22)17-19-8-6-14-23(16-19)30-18-21-11-7-10-20-9-4-5-15-24(20)21/h1-17H,18H2

InChI Key

XQDHICAZBKBDTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.233

Distribution Coefficient, logD

6.233

Water Solubility, LogSw

-7.17

Polar Surface Area

22.787

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-7.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

3358-3549 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with 3358-3549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3358-3549?
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What is the minimum amount of 3358-3549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3358-3549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3358-3549
  • 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 3358-3549 available by request