J006-1790 Screening compound: 2-ethoxy-6-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol

J006-1790 Screening compound: 2-ethoxy-6-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol
J006-1790 Screening compound: 2-ethoxy-6-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J006-1790
2-ethoxy-6-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol

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

J006-1790

Molecular Formula

C20H27NO2S (C20 H27 NO2 S)

Compound Name

2-ethoxy-6-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol

IUPAC name

2-ethoxy-6-{[2-(3-methylthiophen-2-yl)azepan-1-yl]methyl}phenol

SMILES

CCOc1cccc(CN(CCCCC2)C2c2c(C)ccs2)c1O

InChI

InChI=1S/C20H27NO2S/c1-3-23-18-10-7-8-16(19(18)22)14-21-12-6-4-5-9-17(21)20-15(2)11-13-24-20/h7-8,10-11,13,17,22H,3-6,9,12,14H2,1-2H3/t17-/m0/s1

InChI Key

NNLVGVKYISLPHV-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15077975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.283

Distribution Coefficient, logD

4.018

Water Solubility, LogSw

-5.02

Polar Surface Area

27.598

Acid Dissociation Constant (pKa)

10.50

Base Dissociation Constant (pKb)

8.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

J006-1790 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with J006-1790 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J006-1790?
Check Price and Availability of J006-1790, 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 J006-1790 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J006-1790
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J006-1790
  • 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 J006-1790 available by request