3468-0002 Screening compound: (5E)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

3468-0002 Screening compound: (5E)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
3468-0002 Screening compound: (5E)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3468-0002
(5E)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}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

3468-0002

Molecular Formula

C21H18N2O2S2 (C21 H18 N2 O2 S2)

Compound Name

(5E)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5E)-5-({1-[2-(4-methylphenoxy)ethyl]-1H-indol-3-yl}methylidene)-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1OCCn1c(cccc2)c2c(/C=C(\C(N2)=O)/SC2=S)c1

InChI

InChI=1S/C21H18N2O2S2/c1-14-6-8-16(9-7-14)25-11-10-23-13-15(17-4-2-3-5-18(17)23)12-19-20(24)22-21(26)27-19/h2-9,12-13H,10-11H2,1H3,(H,22,24,26)

InChI Key

CQVINTVFCZCNIW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02109762

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.985

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-3.88

Polar Surface Area

34.028

Acid Dissociation Constant (pKa)

5.64

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

References: we are preparing a list of scientific research reports with 3468-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3468-0002?
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What is the minimum amount of 3468-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3468-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3468-0002
  • 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 3468-0002 available by request