4338-0972 Screening compound: 2-hydroxy-4-methyl-6-oxo-5-[(Z)-1-(5-phenyl-2-furyl)methylidene]-3(6H)-pyridinecarbonitrile

4338-0972 Screening compound: 2-hydroxy-4-methyl-6-oxo-5-[(Z)-1-(5-phenyl-2-furyl)methylidene]-3(6H)-pyridinecarbonitrile
4338-0972 Screening compound: 2-hydroxy-4-methyl-6-oxo-5-[(Z)-1-(5-phenyl-2-furyl)methylidene]-3(6H)-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-0972
2-hydroxy-4-methyl-6-oxo-5-[(Z)-1-(5-phenyl-2-furyl)methylidene]-3(6H)-pyridinecarbonitrile

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

4338-0972

Molecular Formula

C18H12N2O3 (C18 H12 N2 O3)

Compound Name

2-hydroxy-4-methyl-6-oxo-5-[(Z)-1-(5-phenyl-2-furyl)methylidene]-3(6H)-pyridinecarbonitrile

IUPAC name

(5Z)-2-hydroxy-4-methyl-6-oxo-5-[(5-phenylfuran-2-yl)methylidene]-56-dihydropyridine-3-carbonitrile

SMILES

CC(/C(/C(N=C1O)=O)=C/c2ccc(-c3ccccc3)o2)=C1C#N

InChI

InChI=1S/C18H12N2O3/c1-11-14(17(21)20-18(22)15(11)10-19)9-13-7-8-16(23-13)12-5-3-2-4-6-12/h2-9H,1H3,(H,20,21,22)

InChI Key

SNLNUUWCOAPJED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.3

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

2.660

Distribution Coefficient, logD

-4.650

Water Solubility, LogSw

-2.80

Polar Surface Area

62.673

Acid Dissociation Constant (pKa)

0.09

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.56

4338-0972 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4338-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-0972?
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What is the minimum amount of 4338-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-0972
  • 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 4338-0972 available by request