Y070-0414 Screening compound: (5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Y070-0414 Screening compound: (5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Y070-0414 Screening compound: (5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0414
(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-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

Y070-0414

Molecular Formula

C25H23N3O3S2 (C25 H23 N3 O3 S2)

Compound Name

(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

IUPAC name

(5Z)-5-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-13-thiazolidin-4-one

SMILES

COc(cc1)ccc1-c(c(/C=C(/C(N1CC2OCCC2)=O)\SC1=S)c1)nn1-c1ccccc1

InChI

InChI=1S/C25H23N3O3S2/c1-30-20-11-9-17(10-12-20)23-18(15-28(26-23)19-6-3-2-4-7-19)14-22-24(29)27(25(32)33-22)16-21-8-5-13-31-21/h2-4,6-7,9-12,14-15,21H,5,8,13,16H2,1H3/t21-/m1/s1

InChI Key

PMEPCZYVNJEKKK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD03462957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.430

Distribution Coefficient, logD

4.430

Water Solubility, LogSw

-4.30

Polar Surface Area

47.273

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

References: we are preparing a list of scientific research reports with Y070-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0414?
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What is the minimum amount of Y070-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0414
  • 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 Y070-0414 available by request