8013-2286 Screening compound: 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

8013-2286 Screening compound: 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
8013-2286 Screening compound: 2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-2286
2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-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

8013-2286

Molecular Formula

C18H16N2O3 (C18 H16 N2 O3)

Compound Name

2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

IUPAC name

2-(1H-indol-3-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide

SMILES

COc1ccc(CNC(C(c2c[nH]c3c2cccc3)=O)=O)cc1

InChI

InChI=1S/C18H16N2O3/c1-23-13-8-6-12(7-9-13)10-20-18(22)17(21)15-11-19-16-5-3-2-4-14(15)16/h2-9,11,19H,10H2,1H3,(H,20,22)

InChI Key

STQWWORVIGBLOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03713767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

308.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.859

Distribution Coefficient, logD

2.859

Water Solubility, LogSw

-3.40

Polar Surface Area

55.805

Acid Dissociation Constant (pKa)

11.96

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8013-2286 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human Ion Channels Annotated Library (353 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
Mechanism of action:
  • Epigenetic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8013-2286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-2286?
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What is the minimum amount of 8013-2286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-2286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-2286
  • 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 8013-2286 available by request