5979-0695 Screening compound: 4-({4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol

5979-0695 Screening compound: 4-({4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol
5979-0695 Screening compound: 4-({4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5979-0695
4-({4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol

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

5979-0695

Molecular Formula

C23H32N2O5 (C23 H32 N2 O5)

Compound Name

4-({4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl}methyl)-2,6-dimethoxyphenol

IUPAC name

4-({4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazin-1-yl}methyl)-26-dimethoxyphenol

SMILES

CCOc(cc(CN1CCN(Cc(cc2OC)cc(OC)c2O)CC1)cc1)c1OC

InChI

InChI=1S/C23H32N2O5/c1-5-30-20-12-17(6-7-19(20)27-2)15-24-8-10-25(11-9-24)16-18-13-21(28-3)23(26)22(14-18)29-4/h6-7,12-14,26H,5,8-11,15-16H2,1-4H3

InChI Key

NXWOVKANWDNHDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03446147

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

-0.744

Water Solubility, LogSw

-1.92

Polar Surface Area

53.092

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

5979-0695 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5979-0695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5979-0695?
Check Price and Availability of 5979-0695, 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 5979-0695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5979-0695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5979-0695
  • 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 5979-0695 available by request