E711-1021 Screening compound: 3-phenyl-N-[2-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

E711-1021 Screening compound: 3-phenyl-N-[2-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
E711-1021 Screening compound: 3-phenyl-N-[2-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-1021
3-phenyl-N-[2-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

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

E711-1021

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

3-phenyl-N-[2-(4-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

IUPAC name

3-phenyl-N-[2-(pyridin-4-yl)ethyl]-5H6H7H8H9H-imidazo[15-a]azepine-1-carboxamide

SMILES

O=C(c1c(CCCCC2)n2c(-c2ccccc2)n1)NCCc1ccncc1

InChI

InChI=1S/C22H24N4O/c27-22(24-15-12-17-10-13-23-14-11-17)20-19-9-5-2-6-16-26(19)21(25-20)18-7-3-1-4-8-18/h1,3-4,7-8,10-11,13-14H,2,5-6,9,12,15-16H2,(H,24,27)

InChI Key

DSVGPKDKWCDVFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.043

Distribution Coefficient, logD

2.998

Water Solubility, LogSw

-3.14

Polar Surface Area

44.762

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

E711-1021 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E711-1021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-1021?
Check Price and Availability of E711-1021, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E711-1021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-1021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-1021
  • 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 E711-1021 available by request