E894-0063 Screening compound: N-(2,5-dimethylphenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}acetamide

E894-0063 Screening compound: N-(2,5-dimethylphenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}acetamide
E894-0063 Screening compound: N-(2,5-dimethylphenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0063
N-(2,5-dimethylphenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}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

E894-0063

Molecular Formula

C27H27N3O3 (C27 H27 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cc(NC(CN(c(cc(cc2)OC)c2C=C2CNc3ccccc3)C2=O)=O)c(C)cc1

InChI

InChI=1S/C27H27N3O3/c1-18-9-10-19(2)24(13-18)29-26(31)17-30-25-15-23(33-3)12-11-20(25)14-21(27(30)32)16-28-22-7-5-4-6-8-22/h4-15,28H,16-17H2,1-3H3,(H,29,31)

InChI Key

AYQTZAGDEWMEDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656144

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.44

Polar Surface Area

55.571

Acid Dissociation Constant (pKa)

12.72

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E894-0063 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 E894-0063 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0063?
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What is the minimum amount of E894-0063 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0063
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0063
  • 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 E894-0063 available by request