J006-1698 Screening compound: 2-(2-ethoxy-4-{[2-(3-methylphenyl)azepan-1-yl]methyl}phenoxy)acetamide

J006-1698 Screening compound: 2-(2-ethoxy-4-{[2-(3-methylphenyl)azepan-1-yl]methyl}phenoxy)acetamide
J006-1698 Screening compound: 2-(2-ethoxy-4-{[2-(3-methylphenyl)azepan-1-yl]methyl}phenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1698
2-(2-ethoxy-4-{[2-(3-methylphenyl)azepan-1-yl]methyl}phenoxy)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

J006-1698

Molecular Formula

C24H32N2O3 (C24 H32 N2 O3)

Compound Name

2-(2-ethoxy-4-{[2-(3-methylphenyl)azepan-1-yl]methyl}phenoxy)acetamide

IUPAC name

2-(2-ethoxy-4-{[2-(3-methylphenyl)azepan-1-yl]methyl}phenoxy)acetamide

SMILES

CCOc(cc(CN(CCCCC1)C1c1cc(C)ccc1)cc1)c1OCC(N)=O

InChI

InChI=1S/C24H32N2O3/c1-3-28-23-15-19(11-12-22(23)29-17-24(25)27)16-26-13-6-4-5-10-21(26)20-9-7-8-18(2)14-20/h7-9,11-12,14-15,21H,3-6,10,13,16-17H2,1-2H3,(H2,25,27)/t21-/m0/s1

InChI Key

NEZQCRZNZGYCOQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15077965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.595

Distribution Coefficient, logD

1.605

Water Solubility, LogSw

-3.64

Polar Surface Area

52.074

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

9.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.80

J006-1698 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J006-1698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1698?
Check Price and Availability of J006-1698, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J006-1698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1698
  • 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 J006-1698 available by request