E711-0095 Screening compound: 3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide

E711-0095 Screening compound: 3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide
E711-0095 Screening compound: 3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0095
3-(4-chlorophenyl)-N-[3-(methylsulfanyl)phenyl]-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

E711-0095

Molecular Formula

C22H22ClN3OS (C22 H22 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CSc1cccc(NC(c2c(CCCCC3)n3c(-c(cc3)ccc3Cl)n2)=O)c1

InChI

InChI=1S/C22H22ClN3OS/c1-28-18-7-5-6-17(14-18)24-22(27)20-19-8-3-2-4-13-26(19)21(25-20)15-9-11-16(23)12-10-15/h5-7,9-12,14H,2-4,8,13H2,1H3,(H,24,27)

InChI Key

XYYLYRHREKFFNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.95

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.035

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-6.09

Polar Surface Area

34.170

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E711-0095 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 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 E711-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0095?
Check Price and Availability of E711-0095, 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 E711-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0095
  • 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 E711-0095 available by request