P055-2201 Screening compound: 2-(4-methoxyphenoxy)-1-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one

P055-2201 Screening compound: 2-(4-methoxyphenoxy)-1-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one
P055-2201 Screening compound: 2-(4-methoxyphenoxy)-1-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-2201
2-(4-methoxyphenoxy)-1-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one

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

P055-2201

Molecular Formula

C21H28N4O4S (C21 H28 N4 O4 S)

Compound Name

2-(4-methoxyphenoxy)-1-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one

IUPAC name

2-(4-methoxyphenoxy)-1-(4-{4-[(morpholin-4-yl)methyl]-13-thiazol-2-yl}piperazin-1-yl)ethan-1-one

SMILES

COc(cc1)ccc1OCC(N(CC1)CCN1c1nc(CN2CCOCC2)cs1)=O

InChI

InChI=1S/C21H28N4O4S/c1-27-18-2-4-19(5-3-18)29-15-20(26)24-6-8-25(9-7-24)21-22-17(16-30-21)14-23-10-12-28-13-11-23/h2-5,16H,6-15H2,1H3

InChI Key

BFIUINHFZUDZKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.841

Distribution Coefficient, logD

1.547

Water Solubility, LogSw

-2.29

Polar Surface Area

56.619

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P055-2201 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 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
  • 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 P055-2201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-2201?
Check Price and Availability of P055-2201, 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 P055-2201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-2201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-2201
  • 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 P055-2201 available by request