4111-1447 Screening compound: 4,6-dimethyl-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile

4111-1447 Screening compound: 4,6-dimethyl-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile
4111-1447 Screening compound: 4,6-dimethyl-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1447
4,6-dimethyl-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-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

4111-1447

Molecular Formula

C13H10N4O4 (C13 H10 N4 O4)

Compound Name

4,6-dimethyl-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile

IUPAC name

46-dimethyl-1-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-2-oxo-12-dihydropyridine-3-carbonitrile

SMILES

CC(C=C(C)N(C1=O)/N=C/c2ccc([N+]([O-])=O)o2)=C1C#N

InChI

InChI=1S/C13H10N4O4/c1-8-5-9(2)16(13(18)11(8)6-14)15-7-10-3-4-12(21-10)17(19)20/h3-5,7H,1-2H3

InChI Key

VBLALWAAIILXCK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00085675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.25

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.286

Distribution Coefficient, logD

1.284

Water Solubility, LogSw

-2.24

Polar Surface Area

84.729

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

4.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

4111-1447 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 4111-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1447?
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What is the minimum amount of 4111-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1447
  • 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 4111-1447 available by request