1682-9748 Screening compound: N-(4-hydroxyphenyl)-3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

1682-9748 Screening compound: N-(4-hydroxyphenyl)-3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide
1682-9748 Screening compound: N-(4-hydroxyphenyl)-3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9748
N-(4-hydroxyphenyl)-3-[(5E)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanamide

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

1682-9748

Molecular Formula

C20H18N2O4S2 (C20 H18 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(/C=C(\C(N2CCC(Nc(cc3)ccc3O)=O)=O)/SC2=S)cccc1

InChI

InChI=1S/C20H18N2O4S2/c1-26-16-5-3-2-4-13(16)12-17-19(25)22(20(27)28-17)11-10-18(24)21-14-6-8-15(23)9-7-14/h2-9,12,23H,10-11H2,1H3,(H,21,24)

InChI Key

UGRUUXWCKGCZIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711038

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

3.464

Water Solubility, LogSw

-3.83

Polar Surface Area

64.818

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1682-9748 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Carbonic Anhydrase II Library (4939 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1682-9748 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9748?
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What is the minimum amount of 1682-9748 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9748
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9748
  • 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 1682-9748 available by request