P055-2098 Screening compound: 4-[(2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-thiazol-4-yl)methyl]morpholine

P055-2098 Screening compound: 4-[(2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-thiazol-4-yl)methyl]morpholine
P055-2098 Screening compound: 4-[(2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-thiazol-4-yl)methyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-2098
4-[(2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-thiazol-4-yl)methyl]morpholine

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

P055-2098

Molecular Formula

C20H23F3N4O2S (C20 H23 F3 N4 O2 S)

Compound Name

4-[(2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-1,3-thiazol-4-yl)methyl]morpholine

IUPAC name

4-[(2-{4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl}-13-thiazol-4-yl)methyl]morpholine

SMILES

O=C(c1cc(C(F)(F)F)ccc1)N(CC1)CCN1c1nc(CN2CCOCC2)cs1

InChI

InChI=1S/C20H23F3N4O2S/c21-20(22,23)16-3-1-2-15(12-16)18(28)26-4-6-27(7-5-26)19-24-17(14-30-19)13-25-8-10-29-11-9-25/h1-3,12,14H,4-11,13H2

InChI Key

JQTJENWMZXCNRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29025745

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.797

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-3.15

Polar Surface Area

42.104

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

7.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P055-2098 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)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

PI3K-Targeted Library (17255 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
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • GPCR
  • Ion Channels
  • Kinases
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 P055-2098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-2098?
Check Price and Availability of P055-2098, 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 P055-2098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-2098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-2098
  • 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 P055-2098 available by request