8011-2434 Screening compound: N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

8011-2434 Screening compound: N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
8011-2434 Screening compound: N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-2434
N-(3-butoxyphenyl)-2-{[3-cyano-4-(4-ethoxy-3-methoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}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

8011-2434

Molecular Formula

C27H31N3O5S (C27 H31 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc1cccc(NC(CSC(NC(CC2c(cc3)cc(OC)c3OCC)=O)=C2C#N)=O)c1

InChI

InChI=1S/C27H31N3O5S/c1-4-6-12-35-20-9-7-8-19(14-20)29-26(32)17-36-27-22(16-28)21(15-25(31)30-27)18-10-11-23(34-5-2)24(13-18)33-3/h7-11,13-14,21H,4-6,12,15,17H2,1-3H3,(H,29,32)(H,30,31)/t21-/m1/s1

InChI Key

PCGRLJLGPHSWEW-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD02237770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.410

Water Solubility, LogSw

-4.27

Polar Surface Area

86.323

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

8011-2434 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 8011-2434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-2434?
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What is the minimum amount of 8011-2434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-2434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-2434
  • 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 8011-2434 available by request