P803-1543 Screening compound: 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one

P803-1543 Screening compound: 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one
P803-1543 Screening compound: 1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1543
1-{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}-2-(2-fluorophenyl)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

P803-1543

Molecular Formula

C24H27FN4O (C24 H27 FN4 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)c(C)cc1-c1n[nH]c(N(CCC2)CCN2C(Cc(cccc2)c2F)=O)c1

InChI

InChI=1S/C24H27FN4O/c1-17-8-9-20(14-18(17)2)22-16-23(27-26-22)28-10-5-11-29(13-12-28)24(30)15-19-6-3-4-7-21(19)25/h3-4,6-9,14,16H,5,10-13,15H2,1-2H3,(H,26,27)

InChI Key

DUIRWWKPNGKODL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.019

Distribution Coefficient, logD

5.019

Water Solubility, LogSw

-4.66

Polar Surface Area

41.904

Acid Dissociation Constant (pKa)

15.30

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P803-1543 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 P803-1543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1543?
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What is the minimum amount of P803-1543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1543
  • 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 P803-1543 available by request