4554-6354 Screening compound: 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

4554-6354 Screening compound: 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide
4554-6354 Screening compound: 2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-6354
2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

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

4554-6354

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-{[3-cyano-4-(4-ethoxyphenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}-N-(34-dimethylphenyl)acetamide

SMILES

CCOc1ccc(C(CC(N2)=O)C(C#N)=C2SCC(Nc2cc(C)c(C)cc2)=O)cc1

InChI

InChI=1S/C24H25N3O3S/c1-4-30-19-9-6-17(7-10-19)20-12-22(28)27-24(21(20)13-25)31-14-23(29)26-18-8-5-15(2)16(3)11-18/h5-11,20H,4,12,14H2,1-3H3,(H,26,29)(H,27,28)/t20-/m1/s1

InChI Key

RXRIEGIXDSMZKY-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03981695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.260

Distribution Coefficient, logD

4.204

Water Solubility, LogSw

-4.13

Polar Surface Area

71.189

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4554-6354 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4554-6354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-6354?
Check Price and Availability of 4554-6354, 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 4554-6354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-6354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-6354
  • 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 4554-6354 available by request