5492-3863 Screening compound: ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate

5492-3863 Screening compound: ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate
5492-3863 Screening compound: ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5492-3863
ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate

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

5492-3863

Molecular Formula

C19H15ClN2O3S (C19 H15 ClN2 O3 S)

Compound Name

ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-[(pyridin-4-yl)methylidene]-4,5-dihydrothiophene-3-carboxylate

IUPAC name

ethyl (5Z)-2-[(3-chlorophenyl)amino]-4-oxo-5-[(pyridin-4-yl)methylidene]-45-dihydrothiophene-3-carboxylate

SMILES

CCOC(C(C1=O)=C(Nc2cccc(Cl)c2)S/C1=C\c1ccncc1)=O

InChI

InChI=1S/C19H15ClN2O3S/c1-2-25-19(24)16-17(23)15(10-12-6-8-21-9-7-12)26-18(16)22-14-5-3-4-13(20)11-14/h3-11,22H,2H2,1H3

InChI Key

AUPHQWPUONSLLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.578

Distribution Coefficient, logD

4.095

Water Solubility, LogSw

-4.61

Polar Surface Area

51.545

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

2.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

5492-3863 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5492-3863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5492-3863?
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What is the minimum amount of 5492-3863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5492-3863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5492-3863
  • 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 5492-3863 available by request