P804-1112 Screening compound: 1-(3,4-diethoxybenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

P804-1112 Screening compound: 1-(3,4-diethoxybenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine
P804-1112 Screening compound: 1-(3,4-diethoxybenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P804-1112
1-(3,4-diethoxybenzoyl)-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

P804-1112

Molecular Formula

C22H26N4O3S (C22 H26 N4 O3 S)

Compound Name

1-(3,4-diethoxybenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

IUPAC name

1-(34-diethoxybenzoyl)-4-[3-(thiophen-2-yl)-1H-pyrazol-5-yl]piperazine

SMILES

CCOc(ccc(C(N(CC1)CCN1c1cc(-c2cccs2)n[nH]1)=O)c1)c1OCC

InChI

InChI=1S/C22H26N4O3S/c1-3-28-18-8-7-16(14-19(18)29-4-2)22(27)26-11-9-25(10-12-26)21-15-17(23-24-21)20-6-5-13-30-20/h5-8,13-15H,3-4,9-12H2,1-2H3,(H,23,24)

InChI Key

LKBBCWMCTSMWMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.31

Polar Surface Area

57.539

Acid Dissociation Constant (pKa)

15.66

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P804-1112 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 P804-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P804-1112?
Check Price and Availability of P804-1112, 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 P804-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P804-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P804-1112
  • 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 P804-1112 available by request