P804-0797 Screening compound: {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazino}(3,4,5-triethoxyphenyl)methanone

P804-0797 Screening compound: {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazino}(3,4,5-triethoxyphenyl)methanone
P804-0797 Screening compound: {4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazino}(3,4,5-triethoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P804-0797
{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazino}(3,4,5-triethoxyphenyl)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

P804-0797

Molecular Formula

C26H31ClN4O4 (C26 H31 ClN4 O4)

Compound Name

{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]piperazino}(3,4,5-triethoxyphenyl)methanone

IUPAC name

1-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-4-(345-triethoxybenzoyl)piperazine

SMILES

CCOc1cc(C(N(CC2)CCN2c2cc(-c(cc3)ccc3Cl)n[nH]2)=O)cc(OCC)c1OCC

InChI

InChI=1S/C26H31ClN4O4/c1-4-33-22-15-19(16-23(34-5-2)25(22)35-6-3)26(32)31-13-11-30(12-14-31)24-17-21(28-29-24)18-7-9-20(27)10-8-18/h7-10,15-17H,4-6,11-14H2,1-3H3,(H,28,29)

InChI Key

YXSMMGUEYKVJGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28041904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.77

Polar Surface Area

63.818

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

P804-0797 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P804-0797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P804-0797?
Check Price and Availability of P804-0797, 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 P804-0797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P804-0797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P804-0797
  • 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 P804-0797 available by request