E221-0097 Screening compound: N-[2-(dimethylamino)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E221-0097 Screening compound: N-[2-(dimethylamino)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E221-0097 Screening compound: N-[2-(dimethylamino)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-0097
N-[2-(dimethylamino)ethyl]-4-(2-phenyl-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

E221-0097

Molecular Formula

C25H29N3O (C25 H29 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CN(C)CCNC(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCC2)=O

InChI

InChI=1S/C25H29N3O/c1-27(2)17-16-26-25(29)20-12-14-22(15-13-20)28-23-11-7-6-10-21(23)18-24(28)19-8-4-3-5-9-19/h3-5,8-9,12-15,18H,6-7,10-11,16-17H2,1-2H3,(H,26,29)

InChI Key

ZNFHMZIMOQNAPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.310

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-4.18

Polar Surface Area

29.959

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E221-0097 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E221-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-0097?
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What is the minimum amount of E221-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-0097
  • 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 E221-0097 available by request