8013-5768 Screening compound: 2-(1H-indol-3-yl)-N-[(naphthalen-1-yl)methyl]-2-oxoacetamide

8013-5768 Screening compound: 2-(1H-indol-3-yl)-N-[(naphthalen-1-yl)methyl]-2-oxoacetamide
8013-5768 Screening compound: 2-(1H-indol-3-yl)-N-[(naphthalen-1-yl)methyl]-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5768
2-(1H-indol-3-yl)-N-[(naphthalen-1-yl)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

8013-5768

Molecular Formula

C21H16N2O2 (C21 H16 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(NCc1cccc2ccccc12)=O)c1c[nH]c2c1cccc2

InChI

InChI=1S/C21H16N2O2/c24-20(18-13-22-19-11-4-3-10-17(18)19)21(25)23-12-15-8-5-7-14-6-1-2-9-16(14)15/h1-11,13,22H,12H2,(H,23,25)

InChI Key

WLNOHKBPGHNKNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.37

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

4.194

Distribution Coefficient, logD

4.192

Water Solubility, LogSw

-4.40

Polar Surface Area

47.990

Acid Dissociation Constant (pKa)

9.68

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

8013-5768 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8013-5768 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5768?
Check Price and Availability of 8013-5768, 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 8013-5768 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5768
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5768
  • 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 8013-5768 available by request