1682-9749 Screening compound: N-(4-HYDROXYPHENYL)-3-[(5E)-5-[(4-METHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDE

1682-9749 Screening compound: N-(4-HYDROXYPHENYL)-3-[(5E)-5-[(4-METHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDE
1682-9749 Screening compound: N-(4-HYDROXYPHENYL)-3-[(5E)-5-[(4-METHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-9749
N-(4-HYDROXYPHENYL)-3-[(5E)-5-[(4-METHYLPHENYL)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

1682-9749

Molecular Formula

C20H18N2O3S2 (C20 H18 N2 O3 S2)

Compound Name

N-(4-HYDROXYPHENYL)-3-[(5E)-5-[(4-METHYLPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANAMIDE

IUPAC name

n/a

SMILES

Cc1ccc(/C=C(\C(N2CCC(Nc(cc3)ccc3O)=O)=O)/SC2=S)cc1

InChI

InChI=1S/C20H18N2O3S2/c1-13-2-4-14(5-3-13)12-17-19(25)22(20(26)27-17)11-10-18(24)21-15-6-8-16(23)9-7-15/h2-9,12,23H,10-11H2,1H3,(H,21,24)

InChI Key

KYHGCBQIXPPJEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00711039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.655

Distribution Coefficient, logD

3.654

Water Solubility, LogSw

-3.91

Polar Surface Area

57.187

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

1682-9749 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1682-9749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-9749?
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What is the minimum amount of 1682-9749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-9749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-9749
  • 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 1682-9749 available by request