P055-0110 Screening compound: 2-phenoxy-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone

P055-0110 Screening compound: 2-phenoxy-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone
P055-0110 Screening compound: 2-phenoxy-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0110
2-phenoxy-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone

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

P055-0110

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

2-phenoxy-1-{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}-1-ethanone

IUPAC name

n/a

SMILES

O=C(COc1ccccc1)N(CC1)CCN1c1nc(CN2CCCC2)cs1

InChI

InChI=1S/C20H26N4O2S/c25-19(15-26-18-6-2-1-3-7-18)23-10-12-24(13-11-23)20-21-17(16-27-20)14-22-8-4-5-9-22/h1-3,6-7,16H,4-5,8-15H2

InChI Key

ZAPWWTANWVQYJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020221

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.557

Distribution Coefficient, logD

-0.301

Water Solubility, LogSw

-2.62

Polar Surface Area

41.533

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P055-0110 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P055-0110 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0110?
Check Price and Availability of P055-0110, 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 P055-0110 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0110
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0110
  • 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 P055-0110 available by request