5594-3261 Screening compound: N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-methylphenyl)acetamide

5594-3261 Screening compound: N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-methylphenyl)acetamide
5594-3261 Screening compound: N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5594-3261
N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-methylphenyl)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

5594-3261

Molecular Formula

C26H26N2O2 (C26 H26 N2 O2)

Compound Name

N-(1-benzoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-(4-methylphenyl)acetamide

IUPAC name

N-(1-benzoyl-2-methyl-1234-tetrahydroquinolin-4-yl)-N-(4-methylphenyl)acetamide

SMILES

CC(CC1N(C(C)=O)c2ccc(C)cc2)N(C(c2ccccc2)=O)c2c1cccc2

InChI

InChI=1S/C26H26N2O2/c1-18-13-15-22(16-14-18)28(20(3)29)25-17-19(2)27(24-12-8-7-11-23(24)25)26(30)21-9-5-4-6-10-21/h4-16,19,25H,17H2,1-3H3

InChI Key

YUKLUADIJIYHQB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01543055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.583

Distribution Coefficient, logD

4.583

Water Solubility, LogSw

-4.39

Polar Surface Area

29.207

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

23.10

5594-3261 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 5594-3261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5594-3261?
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What is the minimum amount of 5594-3261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5594-3261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5594-3261
  • 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 5594-3261 available by request