E644-0077 Screening compound: N-[2-(diethylamino)ethyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E644-0077 Screening compound: N-[2-(diethylamino)ethyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E644-0077 Screening compound: N-[2-(diethylamino)ethyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E644-0077
N-[2-(diethylamino)ethyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

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

E644-0077

Molecular Formula

C22H31N3O (C22 H31 N3 O)

Compound Name

N-[2-(diethylamino)ethyl]-4-(2-methyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

IUPAC name

N-[2-(diethylamino)ethyl]-4-(2-methyl-4567-tetrahydro-1H-indol-1-yl)benzamide

SMILES

CCN(CC)CCNC(c(cc1)ccc1-n1c(CCCC2)c2cc1C)=O

InChI

InChI=1S/C22H31N3O/c1-4-24(5-2)15-14-23-22(26)18-10-12-20(13-11-18)25-17(3)16-19-8-6-7-9-21(19)25/h10-13,16H,4-9,14-15H2,1-3H3,(H,23,26)

InChI Key

NQHGXJRSNUTHSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14907267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.478

Distribution Coefficient, logD

2.364

Water Solubility, LogSw

-3.48

Polar Surface Area

30.746

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E644-0077 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E644-0077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E644-0077?
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What is the minimum amount of E644-0077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E644-0077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E644-0077
  • 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 E644-0077 available by request