0928-0176 Screening compound: (5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

0928-0176 Screening compound: (5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one
0928-0176 Screening compound: (5E)-5-{[4-(diethylamino)phenyl]methylidene}-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0928-0176
(5E)-5-{[4-(diethylamino)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

0928-0176

Molecular Formula

C17H20N2OS2 (C17 H20 N2 OS2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1ccc(/C=C(\C(N2CC=C)=O)/SC2=S)cc1

InChI

InChI=1S/C17H20N2OS2/c1-4-11-19-16(20)15(22-17(19)21)12-13-7-9-14(10-8-13)18(5-2)6-3/h4,7-10,12H,1,5-6,11H2,2-3H3

InChI Key

KSZLXIRJXYCNEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00642843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

4.102

Water Solubility, LogSw

-4.08

Polar Surface Area

19.429

Acid Dissociation Constant (pKa)

28.55

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

0928-0176 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0928-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0928-0176?
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What is the minimum amount of 0928-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0928-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0928-0176
  • 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 0928-0176 available by request