P803-1116 Screening compound: 1-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}piperidin-1-yl)ethan-1-one

P803-1116 Screening compound: 1-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}piperidin-1-yl)ethan-1-one
P803-1116 Screening compound: 1-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}piperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P803-1116
1-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}piperidin-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

P803-1116

Molecular Formula

C22H28ClN5O2 (C22 H28 ClN5 O2)

Compound Name

1-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-1,4-diazepane-1-carbonyl}piperidin-1-yl)ethan-1-one

IUPAC name

1-(4-{4-[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-14-diazepane-1-carbonyl}piperidin-1-yl)ethan-1-one

SMILES

CC(N(CC1)CCC1C(N(CCC1)CCN1c1cc(-c(cc2)ccc2Cl)n[nH]1)=O)=O

InChI

InChI=1S/C22H28ClN5O2/c1-16(29)26-11-7-18(8-12-26)22(30)28-10-2-9-27(13-14-28)21-15-20(24-25-21)17-3-5-19(23)6-4-17/h3-6,15,18H,2,7-14H2,1H3,(H,24,25)

InChI Key

UFPLFBSDHAPTPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28997168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.62

Polar Surface Area

59.819

Acid Dissociation Constant (pKa)

15.28

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

P803-1116 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

GPCR Targeted Library (31838 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 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
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Targets:
  • GPCR
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P803-1116 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P803-1116?
Check Price and Availability of P803-1116, 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 P803-1116 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P803-1116
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P803-1116
  • 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 P803-1116 available by request