4552-4976 Screening compound: 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide

4552-4976 Screening compound: 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide
4552-4976 Screening compound: 2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-4976
2-{[3-cyano-4-(2-ethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-ethylphenyl)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

4552-4976

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(CSC(NC(CC1c(cccc2)c2OCC)=O)=C1C#N)=O

InChI

InChI=1S/C24H25N3O3S/c1-3-16-9-5-7-11-20(16)26-23(29)15-31-24-19(14-25)18(13-22(28)27-24)17-10-6-8-12-21(17)30-4-2/h5-12,18H,3-4,13,15H2,1-2H3,(H,26,29)(H,27,28)/t18-/m1/s1

InChI Key

CEQWYMMZDTWLME-GOSISDBHSA-N

MDL Number (MFCD)

MFCD02241279

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

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.018

Distribution Coefficient, logD

3.962

Water Solubility, LogSw

-4.01

Polar Surface Area

70.577

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 4552-4976 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-4976?
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What is the minimum amount of 4552-4976 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-4976
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-4976
  • 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 4552-4976 available by request