P803-1177 Screening compound: 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one

P803-1177 Screening compound: 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one
P803-1177 Screening compound: 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-diethoxyphenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1177
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(3,4-diethoxyphenyl)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

P803-1177

Molecular Formula

C26H31BrN4O3 (C26 H31 BrN4 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CC(N(CCC1)CCN1c1cc(-c(cc2)ccc2Br)n[nH]1)=O)c1)c1OCC

InChI

InChI=1S/C26H31BrN4O3/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

YUXJXPWTZHAIRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

527.46

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

4.866

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-4.58

Polar Surface Area

56.324

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

P803-1177 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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
  • 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 P803-1177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1177?
Check Price and Availability of P803-1177, 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 P803-1177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1177
  • 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 P803-1177 available by request