4552-4244 Screening compound: 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide

4552-4244 Screening compound: 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide
4552-4244 Screening compound: 2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-4244
2-{[3-cyano-4-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(3-methoxyphenyl)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

4552-4244

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(CC(N2)=O)C(C#N)=C2SCC(Nc2cc(OC)ccc2)=O)cc1

InChI

InChI=1S/C22H21N3O3S/c1-14-6-8-15(9-7-14)18-11-20(26)25-22(19(18)12-23)29-13-21(27)24-16-4-3-5-17(10-16)28-2/h3-10,18H,11,13H2,1-2H3,(H,24,27)(H,25,26)/t18-/m1/s1

InChI Key

DVAYOEBNKFVIOB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03297465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.338

Water Solubility, LogSw

-3.81

Polar Surface Area

71.609

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with 4552-4244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-4244?
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What is the minimum amount of 4552-4244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-4244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-4244
  • 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 4552-4244 available by request