4338-1146 Screening compound: (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

4338-1146 Screening compound: (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile
4338-1146 Screening compound: (5E)-5-{[4-(dimethylamino)phenyl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4338-1146
(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-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

4338-1146

Molecular Formula

C16H15N3O2 (C16 H15 N3 O2)

Compound Name

(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-4-methyl-2,6-dioxo-1,2,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

(5E)-5-{[4-(dimethylamino)phenyl]methylidene}-4-methyl-26-dioxo-1256-tetrahydropyridine-3-carbonitrile

SMILES

CC(/C(/C(NC1=O)=O)=C\c(cc2)ccc2N(C)C)=C1C#N

InChI

InChI=1S/C16H15N3O2/c1-10-13(15(20)18-16(21)14(10)9-17)8-11-4-6-12(7-5-11)19(2)3/h4-8H,1-3H3,(H,18,20,21)

InChI Key

BKYXKLIFBOXMGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03826826

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.707

Distribution Coefficient, logD

0.137

Water Solubility, LogSw

-2.23

Polar Surface Area

58.499

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4338-1146 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4338-1146 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4338-1146?
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What is the minimum amount of 4338-1146 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4338-1146
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4338-1146
  • 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 4338-1146 available by request