2188-1821 Screening compound: 2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

2188-1821 Screening compound: 2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
2188-1821 Screening compound: 2-(benzylsulfanyl)-4-(3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1821
2-(benzylsulfanyl)-4-(3-methoxyphenyl)-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

2188-1821

Molecular Formula

C20H18N2O2S (C20 H18 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(C(CC(N2)=O)C(C#N)=C2SCc2ccccc2)c1

InChI

InChI=1S/C20H18N2O2S/c1-24-16-9-5-8-15(10-16)17-11-19(23)22-20(18(17)12-21)25-13-14-6-3-2-4-7-14/h2-10,17H,11,13H2,1H3,(H,22,23)/t17-/m1/s1

InChI Key

IQWHGCVZKDVBKZ-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD01454997

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.44

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

3.285

Distribution Coefficient, logD

3.251

Water Solubility, LogSw

-3.61

Polar Surface Area

48.459

Acid Dissociation Constant (pKa)

8.49

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2188-1821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1821?
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What is the minimum amount of 2188-1821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1821
  • 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 2188-1821 available by request