2188-0726 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

2188-0726 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate
2188-0726 Screening compound: ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2188-0726
ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

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

2188-0726

Molecular Formula

C18H17ClN2O5S (C18 H17 ClN2 O5 S)

Compound Name

ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate

IUPAC name

ethyl 4-(2-chlorophenyl)-5-cyano-6-[(2-methoxy-2-oxoethyl)sulfanyl]-2-oxo-1234-tetrahydropyridine-3-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1Cl)C(C#N)=C(N1)SCC(OC)=O)C1=O)=O

InChI

InChI=1S/C18H17ClN2O5S/c1-3-26-18(24)15-14(10-6-4-5-7-12(10)19)11(8-20)17(21-16(15)23)27-9-13(22)25-2/h4-7,14-15H,3,9H2,1-2H3,(H,21,23)

InChI Key

BUNUZMSJCOITEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01056874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.86

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.416

Distribution Coefficient, logD

2.322

Water Solubility, LogSw

-3.17

Polar Surface Area

82.577

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

-4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

2188-0726 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 2188-0726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2188-0726?
Check Price and Availability of 2188-0726, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2188-0726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2188-0726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2188-0726
  • 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 2188-0726 available by request