4092-1171 Screening compound: 2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)-4-methoxyphenol

4092-1171 Screening compound: 2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)-4-methoxyphenol
4092-1171 Screening compound: 2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)-4-methoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4092-1171
2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)-4-methoxyphenol

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

4092-1171

Molecular Formula

C21H28N2O3 (C21 H28 N2 O3)

Compound Name

2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)-4-methoxyphenol

IUPAC name

2-({4-[(4-ethoxyphenyl)methyl]piperazin-1-yl}methyl)-4-methoxyphenol

SMILES

CCOc1ccc(CN2CCN(Cc(cc(cc3)OC)c3O)CC2)cc1

InChI

InChI=1S/C21H28N2O3/c1-3-26-19-6-4-17(5-7-19)15-22-10-12-23(13-11-22)16-18-14-20(25-2)8-9-21(18)24/h4-9,14,24H,3,10-13,15-16H2,1-2H3

InChI Key

XADYZQGTLGAUNC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216179

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

356.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.987

Distribution Coefficient, logD

2.039

Water Solubility, LogSw

-2.77

Polar Surface Area

38.727

Acid Dissociation Constant (pKa)

11.34

Base Dissociation Constant (pKb)

8.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 4092-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4092-1171?
Check Price and Availability of 4092-1171, 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 4092-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4092-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4092-1171
  • 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 4092-1171 available by request