Y070-0264 Screening compound: 4-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid

Y070-0264 Screening compound: 4-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Y070-0264 Screening compound: 4-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0264
4-[(5Z)-5-{[3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic 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

Y070-0264

Molecular Formula

C23H18FN3O3S2 (C23 H18 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

OC(CCCN(C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c(cc2)ccc2F)=O)C1=S)=O

InChI

InChI=1S/C23H18FN3O3S2/c24-17-10-8-15(9-11-17)21-16(14-27(25-21)18-5-2-1-3-6-18)13-19-22(30)26(23(31)32-19)12-4-7-20(28)29/h1-3,5-6,8-11,13-14H,4,7,12H2,(H,28,29)

InChI Key

DQOUIKBMHUZGKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.638

Distribution Coefficient, logD

0.824

Water Solubility, LogSw

-3.88

Polar Surface Area

59.709

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

References: we are preparing a list of scientific research reports with Y070-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0264?
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What is the minimum amount of Y070-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0264
  • 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 Y070-0264 available by request