3541-0546 Screening compound: N-{5-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-hydroxybenzamide

3541-0546 Screening compound: N-{5-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-hydroxybenzamide
3541-0546 Screening compound: N-{5-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-hydroxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3541-0546
N-{5-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-hydroxybenzamide

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

3541-0546

Molecular Formula

C20H15N3O4S2 (C20 H15 N3 O4 S2)

Compound Name

N-{5-[(3Z)-1-ethyl-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}-2-hydroxybenzamide

IUPAC name

N-{5-[(3Z)-1-ethyl-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}-2-hydroxybenzamide

SMILES

CCN(c(cccc1)c1/C1=C(\C(N2NC(c(cccc3)c3O)=O)=O)/SC2=S)C1=O

InChI

InChI=1S/C20H15N3O4S2/c1-2-22-13-9-5-3-7-11(13)15(18(22)26)16-19(27)23(20(28)29-16)21-17(25)12-8-4-6-10-14(12)24/h3-10,24H,2H2,1H3,(H,21,25)

InChI Key

GCHDUTBVIFYTPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01955722

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.799

Distribution Coefficient, logD

2.122

Water Solubility, LogSw

-3.31

Polar Surface Area

74.857

Acid Dissociation Constant (pKa)

6.83

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

3541-0546 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3541-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3541-0546?
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What is the minimum amount of 3541-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3541-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3541-0546
  • 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 3541-0546 available by request