E894-0111 Screening compound: N-(2-fluorophenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}acetamide

E894-0111 Screening compound: N-(2-fluorophenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}acetamide
E894-0111 Screening compound: N-(2-fluorophenyl)-2-{7-methoxy-2-oxo-3-[(phenylamino)methyl]-1,2-dihydroquinolin-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E894-0111
N-(2-fluorophenyl)-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

E894-0111

Molecular Formula

C25H22FN3O3 (C25 H22 FN3 O3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc(N2CC(Nc(cccc3)c3F)=O)c1C=C(CNc1ccccc1)C2=O

InChI

InChI=1S/C25H22FN3O3/c1-32-20-12-11-17-13-18(15-27-19-7-3-2-4-8-19)25(31)29(23(17)14-20)16-24(30)28-22-10-6-5-9-21(22)26/h2-14,27H,15-16H2,1H3,(H,28,30)

InChI Key

ZOFWCANWWPGVDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08540356

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.47

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

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.33

Polar Surface Area

55.571

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with E894-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E894-0111?
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What is the minimum amount of E894-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E894-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E894-0111
  • 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 E894-0111 available by request