4554-6423 Screening compound: N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

4554-6423 Screening compound: N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
4554-6423 Screening compound: N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4554-6423
N-benzyl-2-{[3-cyano-4-(3,4-dimethoxyphenyl)-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

4554-6423

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(C(CC(N1)=O)C(C#N)=C1SCC(NCc1ccccc1)=O)c1)c1OC

InChI

InChI=1S/C23H23N3O4S/c1-29-19-9-8-16(10-20(19)30-2)17-11-21(27)26-23(18(17)12-24)31-14-22(28)25-13-15-6-4-3-5-7-15/h3-10,17H,11,13-14H2,1-2H3,(H,25,28)(H,26,27)/t17-/m1/s1

InChI Key

IOMNKWWAKBPGMR-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03667190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.284

Distribution Coefficient, logD

2.228

Water Solubility, LogSw

-2.95

Polar Surface Area

80.648

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 4554-6423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4554-6423?
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What is the minimum amount of 4554-6423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4554-6423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4554-6423
  • 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 4554-6423 available by request