Y020-7399 Screening compound: 2-[(2E,5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-2-(4-methylbenzenesulfonyl)acetonitrile

Y020-7399 Screening compound: 2-[(2E,5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-2-(4-methylbenzenesulfonyl)acetonitrile
Y020-7399 Screening compound: 2-[(2E,5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-2-(4-methylbenzenesulfonyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7399
2-[(2E,5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-2-(4-methylbenzenesulfonyl)acetonitrile

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

Y020-7399

Molecular Formula

C24H22N2O5S2 (C24 H22 N2 O5 S2)

Compound Name

2-[(2E,5Z)-5-[(2,5-dimethoxyphenyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazolidin-2-ylidene]-2-(4-methylbenzenesulfonyl)acetonitrile

IUPAC name

2-[(2E5Z)-5-[(25-dimethoxyphenyl)methylidene]-4-oxo-3-(prop-2-en-1-yl)-13-thiazolidin-2-ylidene]-2-(4-methylbenzenesulfonyl)acetonitrile

SMILES

Cc(cc1)ccc1S(/C(/C#N)=C(\N(CC=C)C1=O)/S/C1=C\c(cc(cc1)OC)c1OC)(=O)=O

InChI

InChI=1S/C24H22N2O5S2/c1-5-12-26-23(27)21(14-17-13-18(30-3)8-11-20(17)31-4)32-24(26)22(15-25)33(28,29)19-9-6-16(2)7-10-19/h5-11,13-14H,1,12H2,2-4H3

InChI Key

CEFXZINGHKNNOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06604565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.781

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-4.58

Polar Surface Area

80.141

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y020-7399 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y020-7399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7399?
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What is the minimum amount of Y020-7399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7399
  • 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 Y020-7399 available by request