4296-0181 Screening compound: 2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide

4296-0181 Screening compound: 2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide
4296-0181 Screening compound: 2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0181
2-{[3-cyano-6-oxo-4-(thiophen-2-yl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(4-ethoxyphenyl)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

4296-0181

Molecular Formula

C20H19N3O3S2 (C20 H19 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(CSC(NC(CC1c2cccs2)=O)=C1C#N)=O

InChI

InChI=1S/C20H19N3O3S2/c1-2-26-14-7-5-13(6-8-14)22-19(25)12-28-20-16(11-21)15(10-18(24)23-20)17-4-3-9-27-17/h3-9,15H,2,10,12H2,1H3,(H,22,25)(H,23,24)/t15-/m1/s1

InChI Key

AJVZRTWXXJZSPH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD02238786

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.52

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

2.969

Distribution Coefficient, logD

2.911

Water Solubility, LogSw

-3.41

Polar Surface Area

72.207

Acid Dissociation Constant (pKa)

8.25

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 4296-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0181?
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What is the minimum amount of 4296-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0181
  • 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 4296-0181 available by request