8013-1447 Screening compound: 2-{[ethyl(phenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile

8013-1447 Screening compound: 2-{[ethyl(phenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile
8013-1447 Screening compound: 2-{[ethyl(phenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1447
2-{[ethyl(phenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile

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

8013-1447

Molecular Formula

C19H19N3 (C19 H19 N3)

Compound Name

2-{[ethyl(phenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile

IUPAC name

2-{[ethyl(phenyl)amino]methyl}-1-methyl-1H-indole-3-carbonitrile

SMILES

CCN(Cc(n(C)c1c2cccc1)c2C#N)c1ccccc1

InChI

InChI=1S/C19H19N3/c1-3-22(15-9-5-4-6-10-15)14-19-17(13-20)16-11-7-8-12-18(16)21(19)2/h4-12H,3,14H2,1-2H3

InChI Key

VKIPKWHDODRKQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03170166

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

289.38

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.917

Distribution Coefficient, logD

3.917

Water Solubility, LogSw

-4.17

Polar Surface Area

21.827

Acid Dissociation Constant (pKa)

28.16

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8013-1447 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1447?
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What is the minimum amount of 8013-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1447
  • 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 8013-1447 available by request