4111-1495 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(pyridin-3-yl)methylidene]amino]-1,2-dihydropyridine-3-carbonitrile

4111-1495 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(pyridin-3-yl)methylidene]amino]-1,2-dihydropyridine-3-carbonitrile
4111-1495 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(pyridin-3-yl)methylidene]amino]-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1495
4,6-dimethyl-2-oxo-1-[(E)-[(pyridin-3-yl)methylidene]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

4111-1495

Molecular Formula

C14H12N4O (C14 H12 N4 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C=C(C)N(C1=O)/N=C/c2cnccc2)=C1C#N

InChI

InChI=1S/C14H12N4O/c1-10-6-11(2)18(14(19)13(10)7-15)17-9-12-4-3-5-16-8-12/h3-6,8-9H,1-2H3

InChI Key

HFVNZNLORBPFLH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00550995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.064

Distribution Coefficient, logD

0.615

Water Solubility, LogSw

-1.15

Polar Surface Area

52.416

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

7.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

4111-1495 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 4111-1495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1495?
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What is the minimum amount of 4111-1495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1495
  • 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 4111-1495 available by request