E711-0121 Screening compound: N-(4-acetylphenyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide

E711-0121 Screening compound: N-(4-acetylphenyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide
E711-0121 Screening compound: N-(4-acetylphenyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0121
N-(4-acetylphenyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-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

E711-0121

Molecular Formula

C23H22ClN3O2 (C23 H22 ClN3 O2)

Compound Name

N-(4-acetylphenyl)-3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide

IUPAC name

N-(4-acetylphenyl)-3-(4-chlorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carboxamide

SMILES

CC(c(cc1)ccc1NC(c1c(CCCCC2)n2c(-c(cc2)ccc2Cl)n1)=O)=O

InChI

InChI=1S/C23H22ClN3O2/c1-15(28)16-8-12-19(13-9-16)25-23(29)21-20-5-3-2-4-14-27(20)22(26-21)17-6-10-18(24)11-7-17/h6-13H,2-5,14H2,1H3,(H,25,29)

InChI Key

MHPRQONJZZBPKQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.115

Water Solubility, LogSw

-5.46

Polar Surface Area

47.997

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E711-0121 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E711-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0121?
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What is the minimum amount of E711-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0121
  • 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 E711-0121 available by request