2188-0743 Screening compound: 4-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

2188-0743 Screening compound: 4-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2188-0743 Screening compound: 4-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0743
4-(4-methoxyphenyl)-2-(methylsulfanyl)-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

2188-0743

Molecular Formula

C14H14N2O2S (C14 H14 N2 O2 S)

Compound Name

4-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

4-(4-methoxyphenyl)-2-(methylsulfanyl)-6-oxo-1456-tetrahydropyridine-3-carbonitrile

SMILES

COc1ccc(C(CC(N2)=O)C(C#N)=C2SC)cc1

InChI

InChI=1S/C14H14N2O2S/c1-18-10-5-3-9(4-6-10)11-7-13(17)16-14(19-2)12(11)8-15/h3-6,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1

InChI Key

QUKCNUZTLLKGRG-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00425691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.001

Distribution Coefficient, logD

1.857

Water Solubility, LogSw

-2.61

Polar Surface Area

48.731

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 2188-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0743?
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What is the minimum amount of 2188-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0743
  • 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 2188-0743 available by request