P789-0543 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethan-1-ol

P789-0543 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethan-1-ol
P789-0543 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound P789-0543
1-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethan-1-ol

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

P789-0543

Molecular Formula

C21H26N2O4 (C21 H26 N2 O4)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethan-1-ol

IUPAC name

1-(2H-13-benzodioxol-5-yl)-2-[4-(2-ethoxyphenyl)piperazin-1-yl]ethan-1-ol

SMILES

CCOc(cccc1)c1N1CCN(CC(c(cc2)cc3c2OCO3)O)CC1

InChI

InChI=1S/C21H26N2O4/c1-2-25-19-6-4-3-5-17(19)23-11-9-22(10-12-23)14-18(24)16-7-8-20-21(13-16)27-15-26-20/h3-8,13,18,24H,2,9-12,14-15H2,1H3/t18-/m0/s1

InChI Key

BJWRAMYVGQPQPP-SFHVURJKSA-N

MDL Number (MFCD)

MFCD20751097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.17

Polar Surface Area

47.408

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

P789-0543 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P789-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P789-0543?
Check Price and Availability of P789-0543, 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 P789-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P789-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P789-0543
  • 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 P789-0543 available by request