E711-1031 Screening compound: 3-phenyl-N-[2-(2-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

E711-1031 Screening compound: 3-phenyl-N-[2-(2-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
E711-1031 Screening compound: 3-phenyl-N-[2-(2-pyridyl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-1031
3-phenyl-N-[2-(2-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

E711-1031

Molecular Formula

C22H24N4O (C22 H24 N4 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1c(CCCCC2)n2c(-c2ccccc2)n1)NCCc1ncccc1

InChI

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

InChI Key

SNPPQXVBNUHFGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13524403

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

3.491

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.47

Polar Surface Area

44.877

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

E711-1031 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E711-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-1031?
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What is the minimum amount of E711-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-1031
  • 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 E711-1031 available by request