E894-0618 Screening compound: 2-(3-{[(4-ethylphenyl)amino]methyl}-6,7-dimethoxy-2-oxo-1,2-dihydroquinolin-1-yl)-N-(4-fluorophenyl)acetamide

E894-0618 Screening compound: 2-(3-{[(4-ethylphenyl)amino]methyl}-6,7-dimethoxy-2-oxo-1,2-dihydroquinolin-1-yl)-N-(4-fluorophenyl)acetamide
E894-0618 Screening compound: 2-(3-{[(4-ethylphenyl)amino]methyl}-6,7-dimethoxy-2-oxo-1,2-dihydroquinolin-1-yl)-N-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0618
2-(3-{[(4-ethylphenyl)amino]methyl}-6,7-dimethoxy-2-oxo-1,2-dihydroquinolin-1-yl)-N-(4-fluorophenyl)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

E894-0618

Molecular Formula

C28H28FN3O4 (C28 H28 FN3 O4)

Compound Name

2-(3-{[(4-ethylphenyl)amino]methyl}-6,7-dimethoxy-2-oxo-1,2-dihydroquinolin-1-yl)-N-(4-fluorophenyl)acetamide

IUPAC name

2-(3-{[(4-ethylphenyl)amino]methyl}-67-dimethoxy-2-oxo-12-dihydroquinolin-1-yl)-N-(4-fluorophenyl)acetamide

SMILES

CCc(cc1)ccc1NCC1=Cc(cc(c(OC)c2)OC)c2N(CC(Nc(cc2)ccc2F)=O)C1=O

InChI

InChI=1S/C28H28FN3O4/c1-4-18-5-9-22(10-6-18)30-16-20-13-19-14-25(35-2)26(36-3)15-24(19)32(28(20)34)17-27(33)31-23-11-7-21(29)8-12-23/h5-15,30H,4,16-17H2,1-3H3,(H,31,33)

InChI Key

BUSKJOMSWIROAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656012

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-4.56

Polar Surface Area

63.986

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E894-0618 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E894-0618 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0618?
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What is the minimum amount of E894-0618 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0618
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0618
  • 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 E894-0618 available by request