E711-0321 Screening compound: 1-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine

E711-0321 Screening compound: 1-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine
E711-0321 Screening compound: 1-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0321
1-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine

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

E711-0321

Molecular Formula

C26H29ClN4O2 (C26 H29 ClN4 O2)

Compound Name

1-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine

IUPAC name

1-[3-(4-chlorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carbonyl]-4-(3-methoxyphenyl)piperazine

SMILES

COc1cccc(N(CC2)CCN2C(c2c(CCCCC3)n3c(-c(cc3)ccc3Cl)n2)=O)c1

InChI

InChI=1S/C26H29ClN4O2/c1-33-22-7-5-6-21(18-22)29-14-16-30(17-15-29)26(32)24-23-8-3-2-4-13-31(23)25(28-24)19-9-11-20(27)12-10-19/h5-7,9-12,18H,2-4,8,13-17H2,1H3

InChI Key

XEYNCIUPSXOZML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.469

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-5.95

Polar Surface Area

38.532

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

E711-0321 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E711-0321 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0321?
Check Price and Availability of E711-0321, 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 E711-0321 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0321
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0321
  • 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 E711-0321 available by request