5685-0405 Screening compound: methyl 2-[(4Z)-4-[(4-hydroxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate

5685-0405 Screening compound: methyl 2-[(4Z)-4-[(4-hydroxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate
5685-0405 Screening compound: methyl 2-[(4Z)-4-[(4-hydroxyphenyl)imino]-2-oxo-1,3-thiazolidin-5-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5685-0405
methyl 2-[(4Z)-4-[(4-hydroxyphenyl)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

5685-0405

Molecular Formula

C12H12N2O4S (C12 H12 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COC(CC(/C(/N1)=N/c(cc2)ccc2O)SC1=O)=O

InChI

InChI=1S/C12H12N2O4S/c1-18-10(16)6-9-11(14-12(17)19-9)13-7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3,(H,13,14,17)/t9-/m0/s1

InChI Key

ZJHUSXBBRXZGNA-VIFPVBQESA-N

MDL Number (MFCD)

MFCD02166930

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.159

Distribution Coefficient, logD

1.147

Water Solubility, LogSw

-2.05

Polar Surface Area

70.539

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

4.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5685-0405 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 5685-0405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5685-0405?
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What is the minimum amount of 5685-0405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5685-0405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5685-0405
  • 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 5685-0405 available by request