Y070-0616 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate

Y070-0616 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate
Y070-0616 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0616
4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate

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

Y070-0616

Molecular Formula

C20H17NO5S2 (C20 H17 NO5 S2)

Compound Name

4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate

IUPAC name

4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-13-thiazolidin-5-ylidene]methyl}phenyl furan-2-carboxylate

SMILES

O=C(c1ccco1)Oc1ccc(/C=C(/C(N2CC3OCCC3)=O)\SC2=S)cc1

InChI

InChI=1S/C20H17NO5S2/c22-18-17(28-20(27)21(18)12-15-3-1-9-24-15)11-13-5-7-14(8-6-13)26-19(23)16-4-2-10-25-16/h2,4-8,10-11,15H,1,3,9,12H2/t15-/m1/s1

InChI Key

GYDUQUFTPYHJHX-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD01458047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.074

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.37

Polar Surface Area

54.053

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y070-0616 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 Y070-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0616?
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What is the minimum amount of Y070-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0616
  • 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 Y070-0616 available by request