4478-7819 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(3E)-4-phenylbut-3-en-2-ylidene]amino]-1,2-dihydropyridine-3-carbonitrile

4478-7819 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(3E)-4-phenylbut-3-en-2-ylidene]amino]-1,2-dihydropyridine-3-carbonitrile
4478-7819 Screening compound: 4,6-dimethyl-2-oxo-1-[(E)-[(3E)-4-phenylbut-3-en-2-ylidene]amino]-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7819
4,6-dimethyl-2-oxo-1-[(E)-[(3E)-4-phenylbut-3-en-2-ylidene]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

4478-7819

Molecular Formula

C18H17N3O (C18 H17 N3 O)

Compound Name

4,6-dimethyl-2-oxo-1-[(E)-[(3E)-4-phenylbut-3-en-2-ylidene]amino]-1,2-dihydropyridine-3-carbonitrile

IUPAC name

46-dimethyl-2-oxo-1-[(E)-[(3E)-4-phenylbut-3-en-2-ylidene]amino]-12-dihydropyridine-3-carbonitrile

SMILES

C/C(/C=C/c1ccccc1)=N\N(C(C)=CC(C)=C1C#N)C1=O

InChI

InChI=1S/C18H17N3O/c1-13-11-15(3)21(18(22)17(13)12-19)20-14(2)9-10-16-7-5-4-6-8-16/h4-11H,1-3H3

InChI Key

CTPBOEUASSNWDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02120271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.385

Distribution Coefficient, logD

3.337

Water Solubility, LogSw

-3.59

Polar Surface Area

42.050

Acid Dissociation Constant (pKa)

29.76

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4478-7819 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4478-7819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7819?
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What is the minimum amount of 4478-7819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7819
  • 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 4478-7819 available by request