P055-0021 Screening compound: [2-chloro-5-(methylsulfanyl)phenyl]{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone

P055-0021 Screening compound: [2-chloro-5-(methylsulfanyl)phenyl]{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone
P055-0021 Screening compound: [2-chloro-5-(methylsulfanyl)phenyl]{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P055-0021
[2-chloro-5-(methylsulfanyl)phenyl]{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone

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

P055-0021

Molecular Formula

C20H25ClN4OS2 (C20 H25 ClN4 OS2)

Compound Name

[2-chloro-5-(methylsulfanyl)phenyl]{4-[4-(1-pyrrolidinylmethyl)-1,3-thiazol-2-yl]piperazino}methanone

IUPAC name

1-[2-chloro-5-(methylsulfanyl)benzoyl]-4-{4-[(pyrrolidin-1-yl)methyl]-13-thiazol-2-yl}piperazine

SMILES

CSc(cc1)cc(C(N(CC2)CCN2c2nc(CN3CCCC3)cs2)=O)c1Cl

InChI

InChI=1S/C20H25ClN4OS2/c1-27-16-4-5-18(21)17(12-16)19(26)24-8-10-25(11-9-24)20-22-15(14-28-20)13-23-6-2-3-7-23/h4-5,12,14H,2-3,6-11,13H2,1H3

InChI Key

CMQGLAFNGKPDEF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29033506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.103

Distribution Coefficient, logD

1.245

Water Solubility, LogSw

-4.43

Polar Surface Area

34.561

Acid Dissociation Constant (pKa)

23.50

Base Dissociation Constant (pKb)

10.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P055-0021 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 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)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P055-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P055-0021?
Check Price and Availability of P055-0021, 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 P055-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P055-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P055-0021
  • 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 P055-0021 available by request