Y010-1723 Screening compound: 2-[5-((E)-1-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid

Y010-1723 Screening compound: 2-[5-((E)-1-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid
Y010-1723 Screening compound: 2-[5-((E)-1-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1723
2-[5-((E)-1-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid

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

Y010-1723

Molecular Formula

C19H14ClNO4S2 (C19 H14 ClNO4 S2)

Compound Name

2-[5-((E)-1-{4-[(2-chlorobenzyl)oxy]phenyl}methylidene)-4-oxo-2-thioxo-1,3-thiazolan-3-yl]acetic acid

IUPAC name

2-[(5E)-5-({4-[(2-chlorophenyl)methoxy]phenyl}methylidene)-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetic acid

SMILES

OC(CN(C(/C(/S1)=C\c(cc2)ccc2OCc(cccc2)c2Cl)=O)C1=S)=O

InChI

InChI=1S/C19H14ClNO4S2/c20-15-4-2-1-3-13(15)11-25-14-7-5-12(6-8-14)9-16-18(24)21(10-17(22)23)19(26)27-16/h1-9H,10-11H2,(H,22,23)

InChI Key

XWTADLXBXWDXLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01002722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.91

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.135

Distribution Coefficient, logD

0.016

Water Solubility, LogSw

-3.39

Polar Surface Area

52.325

Acid Dissociation Constant (pKa)

4.28

Base Dissociation Constant (pKb)

-2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

References: we are preparing a list of scientific research reports with Y010-1723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1723?
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What is the minimum amount of Y010-1723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1723
  • 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 Y010-1723 available by request