P789-0180 Screening compound: 1-(3-chloro-4-ethoxyphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-ol

P789-0180 Screening compound: 1-(3-chloro-4-ethoxyphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-ol
P789-0180 Screening compound: 1-(3-chloro-4-ethoxyphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound P789-0180
1-(3-chloro-4-ethoxyphenyl)-2-[4-(pyridin-2-yl)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

P789-0180

Molecular Formula

C19H24ClN3O2 (C19 H24 ClN3 O2)

Compound Name

1-(3-chloro-4-ethoxyphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-ol

IUPAC name

1-(3-chloro-4-ethoxyphenyl)-2-[4-(pyridin-2-yl)piperazin-1-yl]ethan-1-ol

SMILES

CCOc(ccc(C(CN(CC1)CCN1c1ncccc1)O)c1)c1Cl

InChI

InChI=1S/C19H24ClN3O2/c1-2-25-18-7-6-15(13-16(18)20)17(24)14-22-9-11-23(12-10-22)19-5-3-4-8-21-19/h3-8,13,17,24H,2,9-12,14H2,1H3/t17-/m0/s1

InChI Key

RXJBPXMIENDYBN-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD20751086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.87

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

2.944

Distribution Coefficient, logD

2.924

Water Solubility, LogSw

-3.26

Polar Surface Area

39.105

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

6.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

P789-0180 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P789-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P789-0180?
Check Price and Availability of P789-0180, 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 P789-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P789-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P789-0180
  • 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 P789-0180 available by request