4111-1311 Screening compound: 4,6-dimethyl-1-[(E)-[(3-nitrophenyl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile

4111-1311 Screening compound: 4,6-dimethyl-1-[(E)-[(3-nitrophenyl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile
4111-1311 Screening compound: 4,6-dimethyl-1-[(E)-[(3-nitrophenyl)methylidene]amino]-2-oxo-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1311
4,6-dimethyl-1-[(E)-[(3-nitrophenyl)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

4111-1311

Molecular Formula

C15H12N4O3 (C15 H12 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C=C(C)N(C1=O)/N=C/c2cccc([N+]([O-])=O)c2)=C1C#N

InChI

InChI=1S/C15H12N4O3/c1-10-6-11(2)18(15(20)14(10)8-16)17-9-12-4-3-5-13(7-12)19(21)22/h3-7,9H,1-2H3

InChI Key

CWPINGFNYCSEGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00086973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.977

Distribution Coefficient, logD

1.956

Water Solubility, LogSw

-2.45

Polar Surface Area

76.280

Acid Dissociation Constant (pKa)

30.35

Base Dissociation Constant (pKb)

6.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4111-1311 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1311?
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What is the minimum amount of 4111-1311 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1311
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1311
  • 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 4111-1311 available by request