E894-0071 Screening compound: 2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(3-methylphenyl)acetamide

E894-0071 Screening compound: 2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(3-methylphenyl)acetamide
E894-0071 Screening compound: 2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0071
2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(3-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

E894-0071

Molecular Formula

C26H25N3O3 (C26 H25 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(NC(CN(c(cc(cc2)OC)c2C=C2CNc3ccccc3)C2=O)=O)c1

InChI

InChI=1S/C26H25N3O3/c1-18-7-6-10-22(13-18)28-25(30)17-29-24-15-23(32-2)12-11-19(24)14-20(26(29)31)16-27-21-8-4-3-5-9-21/h3-15,27H,16-17H2,1-2H3,(H,28,30)

InChI Key

YLDGULICGGIAEQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.5

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

5.041

Distribution Coefficient, logD

5.041

Water Solubility, LogSw

-4.62

Polar Surface Area

56.269

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E894-0071 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E894-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0071?
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What is the minimum amount of E894-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0071
  • 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 E894-0071 available by request