C730-0091 Screening compound: 2-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]-2-oxoacetamide

C730-0091 Screening compound: 2-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]-2-oxoacetamide
C730-0091 Screening compound: 2-(1H-indol-3-yl)-N-[(4-methylphenyl)methyl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C730-0091
2-(1H-indol-3-yl)-N-[(4-methylphenyl)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

C730-0091

Molecular Formula

C18H16N2O2 (C18 H16 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(C(c2c[nH]c3c2cccc3)=O)=O)cc1

InChI

InChI=1S/C18H16N2O2/c1-12-6-8-13(9-7-12)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

VDADLUIOHVLGRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04472746

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.34

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.300

Distribution Coefficient, logD

3.300

Water Solubility, LogSw

-3.62

Polar Surface Area

48.261

Acid Dissociation Constant (pKa)

10.95

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C730-0091 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • 3D
  • Fragments
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C730-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C730-0091?
Check Price and Availability of C730-0091, 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 C730-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C730-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C730-0091
  • 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 C730-0091 available by request