8012-7461 Screening compound: N~1~-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide

8012-7461 Screening compound: N~1~-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide
8012-7461 Screening compound: N~1~-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7461
N~1~-[2-(2-methyl-1H-indol-3-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

8012-7461

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

N~1~-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide

IUPAC name

N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide

SMILES

Cc1c(CCNC(c(cccc2)c2[N+]([O-])=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C18H17N3O3/c1-12-13(14-6-2-4-8-16(14)20-12)10-11-19-18(22)15-7-3-5-9-17(15)21(23)24/h2-9,20H,10-11H2,1H3,(H,19,22)

InChI Key

WFUIWMZEJQVANU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.125

Distribution Coefficient, logD

3.125

Water Solubility, LogSw

-3.72

Polar Surface Area

67.500

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8012-7461 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8012-7461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7461?
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What is the minimum amount of 8012-7461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7461
  • 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 8012-7461 available by request