E894-0041 Screening compound: 2-{7-methyl-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(2-methylphenyl)acetamide

E894-0041 Screening compound: 2-{7-methyl-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(2-methylphenyl)acetamide
E894-0041 Screening compound: 2-{7-methyl-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0041
2-{7-methyl-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}-N-(2-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

E894-0041

Molecular Formula

C26H25N3O2 (C26 H25 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc(N2CC(Nc3c(C)cccc3)=O)c1C=C(CNc1ccccc1)C2=O

InChI

InChI=1S/C26H25N3O2/c1-18-12-13-20-15-21(16-27-22-9-4-3-5-10-22)26(31)29(24(20)14-18)17-25(30)28-23-11-7-6-8-19(23)2/h3-15,27H,16-17H2,1-2H3,(H,28,30)

InChI Key

UQJFMXIKKILNAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08140908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.620

Distribution Coefficient, logD

4.620

Water Solubility, LogSw

-4.30

Polar Surface Area

48.027

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E894-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0041?
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What is the minimum amount of E894-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0041
  • 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 E894-0041 available by request