4296-0129 Screening compound: 4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

4296-0129 Screening compound: 4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
4296-0129 Screening compound: 4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0129
4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-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

4296-0129

Molecular Formula

C16H18N2O2S (C16 H18 N2 O2 S)

Compound Name

4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

4-(4-ethoxyphenyl)-2-(ethylsulfanyl)-6-oxo-1456-tetrahydropyridine-3-carbonitrile

SMILES

CCOc1ccc(C(CC(N2)=O)C(C#N)=C2SCC)cc1

InChI

InChI=1S/C16H18N2O2S/c1-3-20-12-7-5-11(6-8-12)13-9-15(19)18-16(21-4-2)14(13)10-17/h5-8,13H,3-4,9H2,1-2H3,(H,18,19)/t13-/m1/s1

InChI Key

HXJRSYJSIOTULO-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD01540409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.833

Distribution Coefficient, logD

2.776

Water Solubility, LogSw

-3.33

Polar Surface Area

48.311

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-8.84

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 4296-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0129?
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What is the minimum amount of 4296-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0129
  • 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 4296-0129 available by request