4478-6819 Screening compound: 1-[(E)-[(4-fluorophenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

4478-6819 Screening compound: 1-[(E)-[(4-fluorophenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
4478-6819 Screening compound: 1-[(E)-[(4-fluorophenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-6819
1-[(E)-[(4-fluorophenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-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

4478-6819

Molecular Formula

C15H12FN3O (C15 H12 FN3 O)

Compound Name

1-[(E)-[(4-fluorophenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

IUPAC name

1-[(E)-[(4-fluorophenyl)methylidene]amino]-46-dimethyl-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

CC(C=C(C)N(C1=O)/N=C/c(cc2)ccc2F)=C1C#N

InChI

InChI=1S/C15H12FN3O/c1-10-7-11(2)19(15(20)14(10)8-17)18-9-12-3-5-13(16)6-4-12/h3-7,9H,1-2H3

InChI Key

KPDUPHCUVYGVPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00667047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.031

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-2.28

Polar Surface Area

42.899

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4478-6819 in Drug Discovery

Included in Screening Libraries

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 4478-6819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-6819?
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What is the minimum amount of 4478-6819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-6819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-6819
  • 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 4478-6819 available by request