E894-0401 Screening compound: N-(2,5-difluorophenyl)-2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamide

E894-0401 Screening compound: N-(2,5-difluorophenyl)-2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamide
E894-0401 Screening compound: N-(2,5-difluorophenyl)-2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-1,2-dihydroquinolin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0401
N-(2,5-difluorophenyl)-2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-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

E894-0401

Molecular Formula

C26H23F2N3O3 (C26 H23 F2 N3 O3)

Compound Name

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

IUPAC name

N-(25-difluorophenyl)-2-(7-methoxy-3-{[(4-methylphenyl)amino]methyl}-2-oxo-12-dihydroquinolin-1-yl)acetamide

SMILES

Cc(cc1)ccc1NCC1=Cc(ccc(OC)c2)c2N(CC(Nc(cc(cc2)F)c2F)=O)C1=O

InChI

InChI=1S/C26H23F2N3O3/c1-16-3-7-20(8-4-16)29-14-18-11-17-5-9-21(34-2)13-24(17)31(26(18)33)15-25(32)30-23-12-19(27)6-10-22(23)28/h3-13,29H,14-15H2,1-2H3,(H,30,32)

InChI Key

GLNRFQJTBFSHLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.48

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

5.464

Distribution Coefficient, logD

5.453

Water Solubility, LogSw

-5.36

Polar Surface Area

55.571

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E894-0401 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E894-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0401?
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What is the minimum amount of E894-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0401
  • 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 E894-0401 available by request