4162-0133 Screening compound: methyl 2-[(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate

4162-0133 Screening compound: methyl 2-[(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate
4162-0133 Screening compound: methyl 2-[(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4162-0133
methyl 2-[(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-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

4162-0133

Molecular Formula

C14H16N2O4S (C14 H16 N2 O4 S)

Compound Name

methyl 2-[(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate

IUPAC name

methyl 2-[(4Z)-4-[(4-ethoxyphenyl)imino]-2-oxo-13-thiazolidin-5-yl]acetate

SMILES

CCOc(cc1)ccc1/N=C(/C(CC(OC)=O)S1)\NC1=O

InChI

InChI=1S/C14H16N2O4S/c1-3-20-10-6-4-9(5-7-10)15-13-11(8-12(17)19-2)21-14(18)16-13/h4-7,11H,3,8H2,1-2H3,(H,15,16,18)/t11-/m0/s1

InChI Key

SGUTWKILHKAHKU-NSHDSACASA-N

MDL Number (MFCD)

MFCD02166933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.147

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.80

Polar Surface Area

60.046

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.70

4162-0133 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4162-0133 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4162-0133?
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What is the minimum amount of 4162-0133 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4162-0133
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4162-0133
  • 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 4162-0133 available by request