C795-0188 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methylphenyl)methyl]acetamide

C795-0188 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methylphenyl)methyl]acetamide
C795-0188 Screening compound: 2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0188
2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methylphenyl)methyl]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

C795-0188

Molecular Formula

C21H20N2O2 (C21 H20 N2 O2)

Compound Name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-(2-benzoyl-1H-pyrrol-1-yl)-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(Cn2c(C(c3ccccc3)=O)ccc2)=O)cc1

InChI

InChI=1S/C21H20N2O2/c1-16-9-11-17(12-10-16)14-22-20(24)15-23-13-5-8-19(23)21(25)18-6-3-2-4-7-18/h2-13H,14-15H2,1H3,(H,22,24)

InChI Key

ZMFPNKTXGBYYPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

3.926

Water Solubility, LogSw

-3.84

Polar Surface Area

39.766

Acid Dissociation Constant (pKa)

13.09

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C795-0188 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C795-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0188?
Check Price and Availability of C795-0188, 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 C795-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0188
  • 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 C795-0188 available by request