P804-1159 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

P804-1159 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine
P804-1159 Screening compound: 1-(3-chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P804-1159
1-(3-chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

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

P804-1159

Molecular Formula

C18H16ClFN4OS (C18 H16 ClFN4 OS)

Compound Name

1-(3-chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

IUPAC name

1-(3-chloro-4-fluorobenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

SMILES

O=C(c(cc1)cc(Cl)c1F)N(CC1)CCN1c1cc(-c2cccs2)n[nH]1

InChI

InChI=1S/C18H16ClFN4OS/c19-13-10-12(3-4-14(13)20)18(25)24-7-5-23(6-8-24)17-11-15(21-22-17)16-2-1-9-26-16/h1-4,9-11H,5-8H2,(H,21,22)

InChI Key

IERGVMFROHWQGK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.87

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.495

Distribution Coefficient, logD

3.495

Water Solubility, LogSw

-4.05

Polar Surface Area

43.119

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P804-1159 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P804-1159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P804-1159?
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What is the minimum amount of P804-1159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P804-1159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P804-1159
  • 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 P804-1159 available by request