P803-1798 Screening compound: 2-(1H-indol-3-yl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one

P803-1798 Screening compound: 2-(1H-indol-3-yl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one
P803-1798 Screening compound: 2-(1H-indol-3-yl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1798
2-(1H-indol-3-yl)-1-{4-[3-(4-methoxyphenyl)-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

P803-1798

Molecular Formula

C25H27N5O2 (C25 H27 N5 O2)

Compound Name

2-(1H-indol-3-yl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}ethan-1-one

IUPAC name

2-(1H-indol-3-yl)-1-{4-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-14-diazepan-1-yl}ethan-1-one

SMILES

COc(cc1)ccc1-c1n[nH]c(N(CCC2)CCN2C(Cc2c[nH]c3c2cccc3)=O)c1

InChI

InChI=1S/C25H27N5O2/c1-32-20-9-7-18(8-10-20)23-16-24(28-27-23)29-11-4-12-30(14-13-29)25(31)15-19-17-26-22-6-3-2-5-21(19)22/h2-3,5-10,16-17,26H,4,11-15H2,1H3,(H,27,28)

InChI Key

ZOANWWRRWGYPCA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29003095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.52

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.063

Distribution Coefficient, logD

4.063

Water Solubility, LogSw

-4.18

Polar Surface Area

59.319

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

P803-1798 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)

Bromodomain Modulators Library (5801 compounds)

Indole Derivatives (10091 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P803-1798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1798?
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What is the minimum amount of P803-1798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1798
  • 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 P803-1798 available by request