E221-0179 Screening compound: N-[2-(morpholin-4-yl)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide

E221-0179 Screening compound: N-[2-(morpholin-4-yl)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide
E221-0179 Screening compound: N-[2-(morpholin-4-yl)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1H-indol-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E221-0179
N-[2-(morpholin-4-yl)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

E221-0179

Molecular Formula

C27H31N3O2 (C27 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cc1)ccc1-n1c(-c2ccccc2)cc2c1CCCC2)NCCN1CCOCC1

InChI

InChI=1S/C27H31N3O2/c31-27(28-14-15-29-16-18-32-19-17-29)22-10-12-24(13-11-22)30-25-9-5-4-8-23(25)20-26(30)21-6-2-1-3-7-21/h1-3,6-7,10-13,20H,4-5,8-9,14-19H2,(H,28,31)

InChI Key

GLFDGJSSVHJMKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14848904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.047

Distribution Coefficient, logD

4.033

Water Solubility, LogSw

-4.21

Polar Surface Area

37.712

Acid Dissociation Constant (pKa)

12.29

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

E221-0179 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E221-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E221-0179?
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What is the minimum amount of E221-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E221-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E221-0179
  • 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 E221-0179 available by request