4162-0201 Screening compound: N'-{2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}-2-hydroxybenzohydrazide

4162-0201 Screening compound: N'-{2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}-2-hydroxybenzohydrazide
4162-0201 Screening compound: N'-{2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}-2-hydroxybenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4162-0201
N'-{2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}-2-hydroxybenzohydrazide

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

4162-0201

Molecular Formula

C21H19N3O7S (C21 H19 N3 O7 S)

Compound Name

N'-{2-[(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl}-2-hydroxybenzohydrazide

IUPAC name

N'-{2-[(5Z)-5-[(34-dimethoxyphenyl)methylidene]-24-dioxo-13-thiazolidin-3-yl]acetyl}-2-hydroxybenzohydrazide

SMILES

COc(ccc(/C=C(/C(N1CC(NNC(c(cccc2)c2O)=O)=O)=O)\SC1=O)c1)c1OC

InChI

InChI=1S/C21H19N3O7S/c1-30-15-8-7-12(9-16(15)31-2)10-17-20(28)24(21(29)32-17)11-18(26)22-23-19(27)13-5-3-4-6-14(13)25/h3-10,25H,11H2,1-2H3,(H,22,26)(H,23,27)

InChI Key

VDVGCJXMORYDRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02360818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.266

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.96

Polar Surface Area

112.659

Acid Dissociation Constant (pKa)

8.74

Base Dissociation Constant (pKb)

-3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4162-0201 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4162-0201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4162-0201?
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What is the minimum amount of 4162-0201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4162-0201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4162-0201
  • 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 4162-0201 available by request