4721-1189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-ethoxyphenyl)ethanediamide

4721-1189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-ethoxyphenyl)ethanediamide
4721-1189 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-ethoxyphenyl)ethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4721-1189
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-ethoxyphenyl)ethanediamide

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

4721-1189

Molecular Formula

C18H18N2O5 (C18 H18 N2 O5)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N'-(2-ethoxyphenyl)ethanediamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N'-(2-ethoxyphenyl)ethanediamide

SMILES

CCOc(cccc1)c1NC(C(NCc(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C18H18N2O5/c1-2-23-14-6-4-3-5-13(14)20-18(22)17(21)19-10-12-7-8-15-16(9-12)25-11-24-15/h3-9H,2,10-11H2,1H3,(H,19,21)(H,20,22)

InChI Key

RIVYKKINXSEUJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00373015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.471

Distribution Coefficient, logD

1.910

Water Solubility, LogSw

-2.90

Polar Surface Area

71.642

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4721-1189 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4721-1189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4721-1189?
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What is the minimum amount of 4721-1189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4721-1189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4721-1189
  • 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 4721-1189 available by request