2722-0115 Screening compound: (5Z)-5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

2722-0115 Screening compound: (5Z)-5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
2722-0115 Screening compound: (5Z)-5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2722-0115
(5Z)-5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-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

2722-0115

Molecular Formula

C24H17NO2S3 (C24 H17 NO2 S3)

Compound Name

(5Z)-5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[4-(4-methylphenyl)-2-(thiophen-2-yl)-4H-chromen-3-yl]methylidene}-2-sulfanylidene-13-thiazolidin-4-one

SMILES

Cc1ccc(C2c(cccc3)c3OC(c3cccs3)=C2/C=C(/C(N2)=O)\SC2=S)cc1

InChI

InChI=1S/C24H17NO2S3/c1-14-8-10-15(11-9-14)21-16-5-2-3-6-18(16)27-22(19-7-4-12-29-19)17(21)13-20-23(26)25-24(28)30-20/h2-13,21H,1H3,(H,25,26,28)/t21-/m0/s1

InChI Key

XRSJPTLZINOZRY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01309164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.299

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-5.48

Polar Surface Area

32.540

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

-1.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.30

2722-0115 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2722-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2722-0115?
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What is the minimum amount of 2722-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2722-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2722-0115
  • 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 2722-0115 available by request