Y070-0610 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methylphenyl)prop-2-enoate

Y070-0610 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methylphenyl)prop-2-enoate
Y070-0610 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methylphenyl)prop-2-enoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0610
4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methylphenyl)prop-2-enoate

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

Y070-0610

Molecular Formula

C25H23NO4S2 (C25 H23 NO4 S2)

Compound Name

4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methylphenyl)prop-2-enoate

IUPAC name

4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl (2E)-3-(4-methylphenyl)prop-2-enoate

SMILES

Cc1ccc(/C=C/C(Oc2ccc(/C=C(/C(N3CC4OCCC4)=O)\SC3=S)cc2)=O)cc1

InChI

InChI=1S/C25H23NO4S2/c1-17-4-6-18(7-5-17)10-13-23(27)30-20-11-8-19(9-12-20)15-22-24(28)26(25(31)32-22)16-21-3-2-14-29-21/h4-13,15,21H,2-3,14,16H2,1H3/t21-/m1/s1

InChI Key

DYFZLGQPZZIWPH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01458043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.983

Distribution Coefficient, logD

4.983

Water Solubility, LogSw

-4.54

Polar Surface Area

44.880

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

Y070-0610 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y070-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0610?
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What is the minimum amount of Y070-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0610
  • 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 Y070-0610 available by request