C856-0275 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-1-(4-benzylpiperidin-1-yl)ethan-1-one

C856-0275 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-1-(4-benzylpiperidin-1-yl)ethan-1-one
C856-0275 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-1-(4-benzylpiperidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C856-0275
2-(2-benzoyl-1H-pyrrol-1-yl)-1-(4-benzylpiperidin-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

C856-0275

Molecular Formula

C25H26N2O2 (C25 H26 N2 O2)

Compound Name

2-(2-benzoyl-1H-pyrrol-1-yl)-1-(4-benzylpiperidin-1-yl)ethan-1-one

IUPAC name

2-(2-benzoyl-1H-pyrrol-1-yl)-1-(4-benzylpiperidin-1-yl)ethan-1-one

SMILES

O=C(Cn1c(C(c2ccccc2)=O)ccc1)N1CCC(Cc2ccccc2)CC1

InChI

InChI=1S/C25H26N2O2/c28-24(26-16-13-21(14-17-26)18-20-8-3-1-4-9-20)19-27-15-7-12-23(27)25(29)22-10-5-2-6-11-22/h1-12,15,21H,13-14,16-19H2

InChI Key

NSVRDVJSDRQLEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14800824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.834

Distribution Coefficient, logD

4.834

Water Solubility, LogSw

-4.84

Polar Surface Area

31.416

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C856-0275 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C856-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C856-0275?
Check Price and Availability of C856-0275, 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 C856-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C856-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C856-0275
  • 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 C856-0275 available by request