8013-5772 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

8013-5772 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
8013-5772 Screening compound: N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5772
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

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

8013-5772

Molecular Formula

C18H15ClN2O2 (C18 H15 ClN2 O2)

Compound Name

N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

SMILES

O=C(C(NCCc(cc1)ccc1Cl)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C18H15ClN2O2/c19-13-7-5-12(6-8-13)9-10-20-18(23)17(22)15-11-21-16-4-2-1-3-14(15)16/h1-8,11,21H,9-10H2,(H,20,23)

InChI Key

UEFJTYLAIMENNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.405

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-4.04

Polar Surface Area

48.103

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8013-5772 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8013-5772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5772?
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What is the minimum amount of 8013-5772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5772
  • 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 8013-5772 available by request