3448-5807 Screening compound: 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

3448-5807 Screening compound: 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
3448-5807 Screening compound: 2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-5807
2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)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

3448-5807

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

2-{[3-cyano-4-(3-ethoxy-4-hydroxyphenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

SMILES

CCOc(cc(C(CC(N1)=O)C(C#N)=C1SCC(Nc1c(C)cccc1)=O)cc1)c1O

InChI

InChI=1S/C23H23N3O4S/c1-3-30-20-10-15(8-9-19(20)27)16-11-21(28)26-23(17(16)12-24)31-13-22(29)25-18-7-5-4-6-14(18)2/h4-10,16,27H,3,11,13H2,1-2H3,(H,25,29)(H,26,28)/t16-/m1/s1

InChI Key

NYTSJXUGVBFZCV-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD02225519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.499

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.63

Polar Surface Area

87.125

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

3448-5807 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3448-5807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-5807?
Check Price and Availability of 3448-5807, 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 3448-5807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-5807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-5807
  • 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 3448-5807 available by request