P803-1253 Screening compound: 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one

P803-1253 Screening compound: 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one
P803-1253 Screening compound: 1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1253
1-{4-[3-(4-bromophenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-phenoxyethan-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

P803-1253

Molecular Formula

C22H23BrN4O2 (C22 H23 BrN4 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(COc1ccccc1)N(CCC1)CCN1c1cc(-c(cc2)ccc2Br)n[nH]1

InChI

InChI=1S/C22H23BrN4O2/c23-18-9-7-17(8-10-18)20-15-21(25-24-20)26-11-4-12-27(14-13-26)22(28)16-29-19-5-2-1-3-6-19/h1-3,5-10,15H,4,11-14,16H2,(H,24,25)

InChI Key

PDUUCOKCYNONLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.230

Distribution Coefficient, logD

4.230

Water Solubility, LogSw

-4.23

Polar Surface Area

49.403

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P803-1253 in Drug Discovery

Included in Screening Libraries

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
  • 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 P803-1253 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1253?
Check Price and Availability of P803-1253, 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 P803-1253 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1253
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1253
  • 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 P803-1253 available by request