P789-0126 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol

P789-0126 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol
P789-0126 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound P789-0126
1-(2H-1,3-benzodioxol-5-yl)-2-[4-(4-fluorophenyl)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

P789-0126

Molecular Formula

C19H21FN2O3 (C19 H21 FN2 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(CN(CC1)CCN1c(cc1)ccc1F)c(cc1)cc2c1OCO2

InChI

InChI=1S/C19H21FN2O3/c20-15-2-4-16(5-3-15)22-9-7-21(8-10-22)12-17(23)14-1-6-18-19(11-14)25-13-24-18/h1-6,11,17,23H,7-10,12-13H2/t17-/m0/s1

InChI Key

IBDRLQDGMGMVAU-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD27614898

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.565

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.68

Polar Surface Area

40.499

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.80

P789-0126 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P789-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P789-0126?
Check Price and Availability of P789-0126, 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 P789-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P789-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P789-0126
  • 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 P789-0126 available by request