3324-0063 Screening compound: (5E)-3-[4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)butyl]-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

3324-0063 Screening compound: (5E)-3-[4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)butyl]-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one
3324-0063 Screening compound: (5E)-3-[4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)butyl]-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3324-0063
(5E)-3-[4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)butyl]-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-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

3324-0063

Molecular Formula

C21H20N2O2S3 (C21 H20 N2 O2 S3)

Compound Name

(5E)-3-[4-oxo-4-(1,2,3,4-tetrahydroquinolin-1-yl)butyl]-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(5E)-3-[4-oxo-4-(1234-tetrahydroquinolin-1-yl)butyl]-2-sulfanylidene-5-[(thiophen-2-yl)methylidene]-13-thiazolidin-4-one

SMILES

O=C(CCCN(C(/C(/S1)=C\c2cccs2)=O)C1=S)N(CCC1)c2c1cccc2

InChI

InChI=1S/C21H20N2O2S3/c24-19(22-11-3-7-15-6-1-2-9-17(15)22)10-4-12-23-20(25)18(28-21(23)26)14-16-8-5-13-27-16/h1-2,5-6,8-9,13-14H,3-4,7,10-12H2

InChI Key

QSUKPSXQLXEAKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02165551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.111

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-4.29

Polar Surface Area

32.496

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

2.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3324-0063 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 3324-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3324-0063?
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What is the minimum amount of 3324-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3324-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3324-0063
  • 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 3324-0063 available by request