4111-1519 Screening compound: 1-[(E)-[1-(4-bromophenyl)ethylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

4111-1519 Screening compound: 1-[(E)-[1-(4-bromophenyl)ethylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
4111-1519 Screening compound: 1-[(E)-[1-(4-bromophenyl)ethylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1519
1-[(E)-[1-(4-bromophenyl)ethylidene]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

4111-1519

Molecular Formula

C16H14BrN3O (C16 H14 BrN3 O)

Compound Name

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

IUPAC name

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

SMILES

C/C(/c(cc1)ccc1Br)=N\N(C(C)=CC(C)=C1C#N)C1=O

InChI

InChI=1S/C16H14BrN3O/c1-10-8-11(2)20(16(21)15(10)9-18)19-12(3)13-4-6-14(17)7-5-13/h4-8H,1-3H3

InChI Key

IBLZACPVWVRFCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120285

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.21

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

3.642

Distribution Coefficient, logD

3.214

Water Solubility, LogSw

-3.84

Polar Surface Area

41.969

Acid Dissociation Constant (pKa)

24.78

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4111-1519 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4111-1519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1519?
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What is the minimum amount of 4111-1519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1519
  • 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 4111-1519 available by request