4593-3283 Screening compound: 4-[(Z)-[(4-hydroxyphenyl)imino]methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate

4593-3283 Screening compound: 4-[(Z)-[(4-hydroxyphenyl)imino]methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate
4593-3283 Screening compound: 4-[(Z)-[(4-hydroxyphenyl)imino]methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-3283
4-[(Z)-[(4-hydroxyphenyl)imino]methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate

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

4593-3283

Molecular Formula

C19H16N2O6S (C19 H16 N2 O6 S)

Compound Name

4-[(Z)-[(4-hydroxyphenyl)imino]methyl]-2-methoxyphenyl 2-(2,4-dioxo-1,3-thiazolidin-5-yl)acetate

IUPAC name

4-[(Z)-[(4-hydroxyphenyl)imino]methyl]-2-methoxyphenyl 2-(24-dioxo-13-thiazolidin-5-yl)acetate

SMILES

COc(cc(/C=N\c(cc1)ccc1O)cc1)c1OC(CC(C(N1)=O)SC1=O)=O

InChI

InChI=1S/C19H16N2O6S/c1-26-15-8-11(10-20-12-3-5-13(22)6-4-12)2-7-14(15)27-17(23)9-16-18(24)21-19(25)28-16/h2-8,10,16,22H,9H2,1H3,(H,21,24,25)/t16-/m0/s1

InChI Key

XKZHTSIJARHMQG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02959553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.41

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.888

Distribution Coefficient, logD

1.381

Water Solubility, LogSw

-2.78

Polar Surface Area

91.424

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.80

4593-3283 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4593-3283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-3283?
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What is the minimum amount of 4593-3283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-3283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-3283
  • 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 4593-3283 available by request