2188-1933 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

2188-1933 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
2188-1933 Screening compound: 4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1933
4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-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

2188-1933

Molecular Formula

C16H16N2O3S (C16 H16 N2 O3 S)

Compound Name

4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-(prop-2-en-1-ylsulfanyl)-1456-tetrahydropyridine-3-carbonitrile

SMILES

COc(cc(C(CC(N1)=O)C(C#N)=C1SCC=C)cc1)c1O

InChI

InChI=1S/C16H16N2O3S/c1-3-6-22-16-12(9-17)11(8-15(20)18-16)10-4-5-13(19)14(7-10)21-2/h3-5,7,11,19H,1,6,8H2,2H3,(H,18,20)/t11-/m1/s1

InChI Key

XCLWFUBJNVCEGX-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01464571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.992

Distribution Coefficient, logD

1.923

Water Solubility, LogSw

-2.70

Polar Surface Area

65.366

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 2188-1933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1933?
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What is the minimum amount of 2188-1933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1933
  • 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 2188-1933 available by request