P803-1338 Screening compound: 2-(3,4-DIETHOXYPHENYL)-1-{4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPAN-1-YL}ETHAN-1-ONE

P803-1338 Screening compound: 2-(3,4-DIETHOXYPHENYL)-1-{4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPAN-1-YL}ETHAN-1-ONE
P803-1338 Screening compound: 2-(3,4-DIETHOXYPHENYL)-1-{4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPAN-1-YL}ETHAN-1-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1338
2-(3,4-DIETHOXYPHENYL)-1-{4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPAN-1-YL}ETHAN-1-ONE

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

P803-1338

Molecular Formula

C26H31FN4O3 (C26 H31 FN4 O3)

Compound Name

2-(3,4-DIETHOXYPHENYL)-1-{4-[3-(4-FLUOROPHENYL)-1H-PYRAZOL-5-YL]-1,4-DIAZEPAN-1-YL}ETHAN-1-ONE

IUPAC name

2-(34-diethoxyphenyl)-1-{4-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-14-diazepan-1-yl}ethan-1-one

SMILES

CCOc(ccc(CC(N(CCC1)CCN1c1cc(-c(cc2)ccc2F)n[nH]1)=O)c1)c1OCC

InChI

InChI=1S/C26H31FN4O3/c1-3-33-23-11-6-19(16-24(23)34-4-2)17-26(32)31-13-5-12-30(14-15-31)25-18-22(28-29-25)20-7-9-21(27)10-8-20/h6-11,16,18H,3-5,12-15,17H2,1-2H3,(H,28,29)

InChI Key

RRIRQLCOINUOHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.062

Distribution Coefficient, logD

4.062

Water Solubility, LogSw

-4.06

Polar Surface Area

56.324

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

P803-1338 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Bromodomain Modulators Library (5801 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P803-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1338?
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What is the minimum amount of P803-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1338
  • 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 P803-1338 available by request