2188-1943 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

2188-1943 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile
2188-1943 Screening compound: 4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-1943
4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(propylsulfanyl)-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

2188-1943

Molecular Formula

C17H20N2O3S (C17 H20 N2 O3 S)

Compound Name

4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(propylsulfanyl)-1,4,5,6-tetrahydropyridine-3-carbonitrile

IUPAC name

4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-2-(propylsulfanyl)-1456-tetrahydropyridine-3-carbonitrile

SMILES

CCCSC(NC(CC1c(cc2)cc(OCC)c2O)=O)=C1C#N

InChI

InChI=1S/C17H20N2O3S/c1-3-7-23-17-13(10-18)12(9-16(21)19-17)11-5-6-14(20)15(8-11)22-4-2/h5-6,8,12,20H,3-4,7,9H2,1-2H3,(H,19,21)/t12-/m1/s1

InChI Key

MERBESJERSGMSD-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01540457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.527

Water Solubility, LogSw

-2.98

Polar Surface Area

64.945

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

-8.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

2188-1943 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2188-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-1943?
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What is the minimum amount of 2188-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-1943
  • 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 2188-1943 available by request