1611-2586 Screening compound: N-(2-hydroxyphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

1611-2586 Screening compound: N-(2-hydroxyphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide
1611-2586 Screening compound: N-(2-hydroxyphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1611-2586
N-(2-hydroxyphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

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

1611-2586

Molecular Formula

C19H16N2O4S2 (C19 H16 N2 O4 S2)

Compound Name

N-(2-hydroxyphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetamide

IUPAC name

N-(2-hydroxyphenyl)-2-[(5E)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]acetamide

SMILES

COc1ccc(/C=C(\C(N2CC(Nc(cccc3)c3O)=O)=O)/SC2=S)cc1

InChI

InChI=1S/C19H16N2O4S2/c1-25-13-8-6-12(7-9-13)10-16-18(24)21(19(26)27-16)11-17(23)20-14-4-2-3-5-15(14)22/h2-10,22H,11H2,1H3,(H,20,23)

InChI Key

RXTJUSPBUIZEHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01161954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.33

Polar Surface Area

62.986

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

1611-2586 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1611-2586 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1611-2586?
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What is the minimum amount of 1611-2586 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1611-2586
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1611-2586
  • 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 1611-2586 available by request