Y070-0615 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

Y070-0615 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
Y070-0615 Screening compound: 4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-0615
4-{[(5Z)-4-oxo-3-[(oxolan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate

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

Y070-0615

Molecular Formula

C22H18N2O6S2 (C22 H18 N2 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(Oc1ccc(/C=C(/C(N2CC3OCCC3)=O)\SC2=S)cc1)=O)=O

InChI

InChI=1S/C22H18N2O6S2/c25-20-19(32-22(31)23(20)13-18-2-1-11-29-18)12-14-3-9-17(10-4-14)30-21(26)15-5-7-16(8-6-15)24(27)28/h3-10,12,18H,1-2,11,13H2/t18-/m1/s1

InChI Key

AKKVZQZFQOPPER-GOSISDBHSA-N

MDL Number (MFCD)

MFCD01458040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.877

Distribution Coefficient, logD

3.877

Water Solubility, LogSw

-4.17

Polar Surface Area

78.856

Acid Dissociation Constant (pKa)

26.64

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

Y070-0615 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 Y070-0615 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-0615?
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What is the minimum amount of Y070-0615 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-0615
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-0615
  • 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 Y070-0615 available by request