4111-1310 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-(phenylmethylidene)amino]-1,2-dihydropyridine-3-carbonitrile

4111-1310 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-(phenylmethylidene)amino]-1,2-dihydropyridine-3-carbonitrile
4111-1310 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-(phenylmethylidene)amino]-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1310
4,6-dimethyl-2-oxo-1-[(E)-(phenylmethylidene)amino]-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

4111-1310

Molecular Formula

C15H13N3O (C15 H13 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C=C(C)N(C1=O)/N=C/c2ccccc2)=C1C#N

InChI

InChI=1S/C15H13N3O/c1-11-8-12(2)18(15(19)14(11)9-16)17-10-13-6-4-3-5-7-13/h3-8,10H,1-2H3

InChI Key

YTODHHLHESCNOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00085674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

251.29

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

2.006

Distribution Coefficient, logD

1.619

Water Solubility, LogSw

-2.23

Polar Surface Area

42.899

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

4111-1310 in Drug Discovery

Included in Screening Libraries

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4111-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1310?
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What is the minimum amount of 4111-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1310
  • 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 4111-1310 available by request