Y070-0042 Screening compound: 6-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

Y070-0042 Screening compound: 6-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
Y070-0042 Screening compound: 6-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0042
6-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

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

Y070-0042

Molecular Formula

C26H25N3O3S2 (C26 H25 N3 O3 S2)

Compound Name

6-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid

IUPAC name

6-[(5Z)-5-{[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]hexanoic acid

SMILES

Cc(cc1)ccc1-c(c(/C=C(/C(N1CCCCCC(O)=O)=O)\SC1=S)c1)nn1-c1ccccc1

InChI

InChI=1S/C26H25N3O3S2/c1-18-11-13-19(14-12-18)24-20(17-29(27-24)21-8-4-2-5-9-21)16-22-25(32)28(26(33)34-22)15-7-3-6-10-23(30)31/h2,4-5,8-9,11-14,16-17H,3,6-7,10,15H2,1H3,(H,30,31)

InChI Key

WBGJSFNQIYFLQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01956917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.042

Distribution Coefficient, logD

2.214

Water Solubility, LogSw

-4.29

Polar Surface Area

59.709

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

Y070-0042 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y070-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0042?
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What is the minimum amount of Y070-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0042
  • 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 Y070-0042 available by request