E894-1022 Screening compound: 2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide

E894-1022 Screening compound: 2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide
E894-1022 Screening compound: 2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-1022
2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-(2,5-dimethylphenyl)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

E894-1022

Molecular Formula

C29H31N3O4 (C29 H31 N3 O4)

Compound Name

2-(3-{[(3,4-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-1,2-dihydroquinolin-1-yl)-N-(2,5-dimethylphenyl)acetamide

IUPAC name

2-(3-{[(34-dimethoxyphenyl)amino]methyl}-7-methyl-2-oxo-12-dihydroquinolin-1-yl)-N-(25-dimethylphenyl)acetamide

SMILES

Cc1cc(NC(CN(c(cc(C)cc2)c2C=C2CNc(cc3)cc(OC)c3OC)C2=O)=O)c(C)cc1

InChI

InChI=1S/C29H31N3O4/c1-18-6-8-20(3)24(12-18)31-28(33)17-32-25-13-19(2)7-9-21(25)14-22(29(32)34)16-30-23-10-11-26(35-4)27(15-23)36-5/h6-15,30H,16-17H2,1-5H3,(H,31,33)

InChI Key

LIYKVPCVDYGTTN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.465

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-4.37

Polar Surface Area

63.288

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

E894-1022 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E894-1022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-1022?
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What is the minimum amount of E894-1022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-1022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-1022
  • 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 E894-1022 available by request