6371-0074 Screening compound: (2E,5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one

6371-0074 Screening compound: (2E,5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one
6371-0074 Screening compound: (2E,5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6371-0074
(2E,5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(pyridin-3-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

6371-0074

Molecular Formula

C18H14N2O2S (C18 H14 N2 O2 S)

Compound Name

(2E,5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(pyridin-3-yl)methylidene]-1,3-thiazolidin-4-one

IUPAC name

(2E5Z)-2-[2-(4-methylphenyl)-2-oxoethylidene]-5-[(pyridin-3-yl)methylidene]-13-thiazolidin-4-one

SMILES

Cc(cc1)ccc1C(/C=C(\NC1=O)/S/C1=C\c1cnccc1)=O

InChI

InChI=1S/C18H14N2O2S/c1-12-4-6-14(7-5-12)15(21)10-17-20-18(22)16(23-17)9-13-3-2-8-19-11-13/h2-11H,1H3,(H,20,22)

InChI Key

MGYGVRJOIFZQKP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

2.883

Water Solubility, LogSw

-3.21

Polar Surface Area

46.777

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

6371-0074 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 6371-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6371-0074?
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What is the minimum amount of 6371-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6371-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6371-0074
  • 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 6371-0074 available by request