4338-0728 Screening compound: (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydropyridine-3-carbonitrile

4338-0728 Screening compound: (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydropyridine-3-carbonitrile
4338-0728 Screening compound: (5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0728
(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydropyridine-3-carbonitrile

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

4338-0728

Molecular Formula

C18H11ClN2O3 (C18 H11 ClN2 O3)

Compound Name

(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-2,5-dihydropyridine-3-carbonitrile

IUPAC name

(5Z)-5-{[5-(3-chlorophenyl)furan-2-yl]methylidene}-6-hydroxy-4-methyl-2-oxo-25-dihydropyridine-3-carbonitrile

SMILES

CC(/C(/C(O)=NC1=O)=C/c2ccc(-c3cccc(Cl)c3)o2)=C1C#N

InChI

InChI=1S/C18H11ClN2O3/c1-10-14(17(22)21-18(23)15(10)9-20)8-13-5-6-16(24-13)11-3-2-4-12(19)7-11/h2-8H,1H3,(H,21,22,23)

InChI Key

CFYFHYUIUOZIFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

-2.705

Water Solubility, LogSw

-3.54

Polar Surface Area

62.673

Acid Dissociation Constant (pKa)

1.36

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

4338-0728 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 4338-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0728?
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What is the minimum amount of 4338-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0728
  • 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 4338-0728 available by request