P055-0057 Screening compound: 2-(2-chlorophenyl)-1-(4-{4-[(pyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one

P055-0057 Screening compound: 2-(2-chlorophenyl)-1-(4-{4-[(pyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one
P055-0057 Screening compound: 2-(2-chlorophenyl)-1-(4-{4-[(pyrrolidin-1-yl)methyl]-1,3-thiazol-2-yl}piperazin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0057
2-(2-chlorophenyl)-1-(4-{4-[(pyrrolidin-1-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

P055-0057

Molecular Formula

C20H25ClN4OS (C20 H25 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(Cc(cccc1)c1Cl)N(CC1)CCN1c1nc(CN2CCCC2)cs1

InChI

InChI=1S/C20H25ClN4OS/c21-18-6-2-1-5-16(18)13-19(26)24-9-11-25(12-10-24)20-22-17(15-27-20)14-23-7-3-4-8-23/h1-2,5-6,15H,3-4,7-14H2

InChI Key

DORGEKPSOGKOSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.96

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

0.939

Water Solubility, LogSw

-4.10

Polar Surface Area

34.034

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P055-0057 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

GPCR Targeted Library (31838 compounds)

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

Protein-Protein Interaction Library (218420 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P055-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0057?
Check Price and Availability of P055-0057, 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 P055-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0057
  • 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 P055-0057 available by request