4111-1464 Screening compound: 1-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

4111-1464 Screening compound: 1-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
4111-1464 Screening compound: 1-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]amino]-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-1464
1-[(E)-[(2-hydroxy-3-methoxyphenyl)methylidene]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

4111-1464

Molecular Formula

C16H15N3O3 (C16 H15 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C=C(C)N(C1=O)/N=C/c(cccc2OC)c2O)=C1C#N

InChI

InChI=1S/C16H15N3O3/c1-10-7-11(2)19(16(21)13(10)8-17)18-9-12-5-4-6-14(22-3)15(12)20/h4-7,9,20H,1-3H3

InChI Key

JQGCCGVDXXAPGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00086809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

297.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.017

Distribution Coefficient, logD

1.270

Water Solubility, LogSw

-2.34

Polar Surface Area

66.008

Acid Dissociation Constant (pKa)

9.79

Base Dissociation Constant (pKb)

8.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

References: we are preparing a list of scientific research reports with 4111-1464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-1464?
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What is the minimum amount of 4111-1464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-1464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-1464
  • 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 4111-1464 available by request