E711-1112 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide

E711-1112 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide
E711-1112 Screening compound: N-[2-(4-ethylpiperazino)ethyl]-3-phenyl-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-1112
N-[2-(4-ethylpiperazino)ethyl]-3-phenyl-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

E711-1112

Molecular Formula

C23H33N5O (C23 H33 N5 O)

Compound Name

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

IUPAC name

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

SMILES

CCN1CCN(CCNC(c2c(CCCCC3)n3c(-c3ccccc3)n2)=O)CC1

InChI

InChI=1S/C23H33N5O/c1-2-26-15-17-27(18-16-26)14-12-24-23(29)21-20-11-7-4-8-13-28(20)22(25-21)19-9-5-3-6-10-19/h3,5-6,9-10H,2,4,7-8,11-18H2,1H3,(H,24,29)

InChI Key

VJOLPHWMOPKSJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

2.004

Water Solubility, LogSw

-3.08

Polar Surface Area

42.853

Acid Dissociation Constant (pKa)

13.35

Base Dissociation Constant (pKb)

8.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.52

E711-1112 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E711-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-1112?
Check Price and Availability of E711-1112, 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 E711-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-1112
  • 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 E711-1112 available by request