Y070-0411 Screening compound: (5Z)-3-[(furan-2-yl)methyl]-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one

Y070-0411 Screening compound: (5Z)-3-[(furan-2-yl)methyl]-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one
Y070-0411 Screening compound: (5Z)-3-[(furan-2-yl)methyl]-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0411
(5Z)-3-[(furan-2-yl)methyl]-5-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-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

Y070-0411

Molecular Formula

C22H15N3O2S3 (C22 H15 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(/C(/S1)=C/c2cn(-c3ccccc3)nc2-c2cccs2)N(Cc2ccco2)C1=S

InChI

InChI=1S/C22H15N3O2S3/c26-21-19(30-22(28)24(21)14-17-8-4-10-27-17)12-15-13-25(16-6-2-1-3-7-16)23-20(15)18-9-5-11-29-18/h1-13H,14H2

InChI Key

NLPGGHIKSQJDGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03462956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.208

Distribution Coefficient, logD

5.208

Water Solubility, LogSw

-5.26

Polar Surface Area

39.842

Acid Dissociation Constant (pKa)

34.59

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

Y070-0411 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0411?
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What is the minimum amount of Y070-0411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0411
  • 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 Y070-0411 available by request