4092-0694 Screening compound: 2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol

4092-0694 Screening compound: 2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol
4092-0694 Screening compound: 2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-0694
2,6-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-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

4092-0694

Molecular Formula

C21H28N2O4 (C21 H28 N2 O4)

Compound Name

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

IUPAC name

26-dimethoxy-4-({4-[(3-methoxyphenyl)methyl]piperazin-1-yl}methyl)phenol

SMILES

COc1cccc(CN2CCN(Cc(cc3OC)cc(OC)c3O)CC2)c1

InChI

InChI=1S/C21H28N2O4/c1-25-18-6-4-5-16(11-18)14-22-7-9-23(10-8-22)15-17-12-19(26-2)21(24)20(13-17)27-3/h4-6,11-13,24H,7-10,14-15H2,1-3H3

InChI Key

KMMIKCKBTJCBSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02374777

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

372.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.964

Distribution Coefficient, logD

-0.407

Water Solubility, LogSw

-1.92

Polar Surface Area

45.795

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

10.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4092-0694 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Glucocorticoid receptors Library (4806 compounds)

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4092-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-0694?
Check Price and Availability of 4092-0694, 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 4092-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-0694
  • 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 4092-0694 available by request