P804-1171 Screening compound: 2-{4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}quinoline

P804-1171 Screening compound: 2-{4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}quinoline
P804-1171 Screening compound: 2-{4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound P804-1171
2-{4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}quinoline

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

P804-1171

Molecular Formula

C21H19N5OS (C21 H19 N5 OS)

Compound Name

2-{4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}quinoline

IUPAC name

2-{4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine-1-carbonyl}quinoline

SMILES

O=C(c1nc2ccccc2cc1)N(CC1)CCN1c1cc(-c2cccs2)n[nH]1

InChI

InChI=1S/C21H19N5OS/c27-21(17-8-7-15-4-1-2-5-16(15)22-17)26-11-9-25(10-12-26)20-14-18(23-24-20)19-6-3-13-28-19/h1-8,13-14H,9-12H2,(H,23,24)

InChI Key

SDPLGVUPBJQZLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042030

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.758

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-4.10

Polar Surface Area

51.449

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

P804-1171 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Bcl2-PPI Inhibitors Library (12246 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)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Ion Channels Focused Library (26372 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P804-1171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P804-1171?
Check Price and Availability of P804-1171, 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 P804-1171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P804-1171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P804-1171
  • 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 P804-1171 available by request