4476-3020 Screening compound: N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

4476-3020 Screening compound: N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide
4476-3020 Screening compound: N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4476-3020
N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

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

4476-3020

Molecular Formula

C18H15N3O4S2 (C18 H15 N3 O4 S2)

Compound Name

N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]pyridine-4-carboxamide

IUPAC name

N-[(5Z)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl]pyridine-4-carboxamide

SMILES

CCOc(cc(/C=C(/C(N1NC(c2ccncc2)=O)=O)\SC1=S)cc1)c1O

InChI

InChI=1S/C18H15N3O4S2/c1-2-25-14-9-11(3-4-13(14)22)10-15-17(24)21(18(26)27-15)20-16(23)12-5-7-19-8-6-12/h3-10,22H,2H2,1H3,(H,20,23)

InChI Key

IRAUISYOMHSCHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02267513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.628

Distribution Coefficient, logD

1.508

Water Solubility, LogSw

-2.05

Polar Surface Area

76.030

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

3.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

4476-3020 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 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 4476-3020 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4476-3020?
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What is the minimum amount of 4476-3020 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4476-3020
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4476-3020
  • 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 4476-3020 available by request