P789-0136 Screening compound: 1-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol

P789-0136 Screening compound: 1-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol
P789-0136 Screening compound: 1-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound P789-0136
1-(2,5-dimethoxyphenyl)-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

P789-0136

Molecular Formula

C20H25FN2O3 (C20 H25 FN2 O3)

Compound Name

1-(2,5-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol

IUPAC name

1-(25-dimethoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethan-1-ol

SMILES

COc(cc1)cc(C(CN(CC2)CCN2c(cc2)ccc2F)O)c1OC

InChI

InChI=1S/C20H25FN2O3/c1-25-17-7-8-20(26-2)18(13-17)19(24)14-22-9-11-23(12-10-22)16-5-3-15(21)4-6-16/h3-8,13,19,24H,9-12,14H2,1-2H3/t19-/m0/s1

InChI Key

MDDJEEBXFKHXSN-IBGZPJMESA-N

MDL Number (MFCD)

MFCD27614901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.020

Distribution Coefficient, logD

2.940

Water Solubility, LogSw

-3.07

Polar Surface Area

38.558

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

6.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

P789-0136 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
  • Nervous system
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P789-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P789-0136?
Check Price and Availability of P789-0136, 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 P789-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P789-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P789-0136
  • 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 P789-0136 available by request