C281-0118 Screening compound: 5-chloro-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-nitrobenzamide

C281-0118 Screening compound: 5-chloro-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-nitrobenzamide
C281-0118 Screening compound: 5-chloro-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C281-0118
5-chloro-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-nitrobenzamide

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

C281-0118

Molecular Formula

C18H16ClN3O3 (C18 H16 ClN3 O3)

Compound Name

5-chloro-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-nitrobenzamide

IUPAC name

5-chloro-N-[2-(2-methyl-1H-indol-1-yl)ethyl]-2-nitrobenzamide

SMILES

Cc1cc(cccc2)c2n1CCNC(c(cc(cc1)Cl)c1[N+]([O-])=O)=O

InChI

InChI=1S/C18H16ClN3O3/c1-12-10-13-4-2-3-5-16(13)21(12)9-8-20-18(23)15-11-14(19)6-7-17(15)22(24)25/h2-7,10-11H,8-9H2,1H3,(H,20,23)

InChI Key

JICMIALHZULVOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.989

Distribution Coefficient, logD

3.986

Water Solubility, LogSw

-4.37

Polar Surface Area

59.248

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C281-0118 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C281-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C281-0118?
Check Price and Availability of C281-0118, 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 C281-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C281-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C281-0118
  • 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 C281-0118 available by request