C856-0161 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-(1-phenylbutan-2-yl)acetamide

C856-0161 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-(1-phenylbutan-2-yl)acetamide
C856-0161 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-(1-phenylbutan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C856-0161
2-(2-benzoyl-1H-pyrrol-1-yl)-N-(1-phenylbutan-2-yl)acetamide

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

C856-0161

Molecular Formula

C23H24N2O2 (C23 H24 N2 O2)

Compound Name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-(1-phenylbutan-2-yl)acetamide

IUPAC name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-(1-phenylbutan-2-yl)acetamide

SMILES

CCC(Cc1ccccc1)NC(Cn1c(C(c2ccccc2)=O)ccc1)=O

InChI

InChI=1S/C23H24N2O2/c1-2-20(16-18-10-5-3-6-11-18)24-22(26)17-25-15-9-14-21(25)23(27)19-12-7-4-8-13-19/h3-15,20H,2,16-17H2,1H3,(H,24,26)/t20-/m0/s1

InChI Key

FSFFUUXGTALIED-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14800790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.939

Distribution Coefficient, logD

4.939

Water Solubility, LogSw

-4.56

Polar Surface Area

39.675

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

0.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

C856-0161 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C856-0161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C856-0161?
Check Price and Availability of C856-0161, 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 C856-0161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C856-0161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C856-0161
  • 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 C856-0161 available by request