E711-0031 Screening compound: methyl 2-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]benzoate

E711-0031 Screening compound: methyl 2-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]benzoate
E711-0031 Screening compound: methyl 2-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0031
methyl 2-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]benzoate

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

E711-0031

Molecular Formula

C23H22ClN3O3 (C23 H22 ClN3 O3)

Compound Name

methyl 2-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]benzoate

IUPAC name

methyl 2-[3-(4-chlorophenyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-amido]benzoate

SMILES

COC(c(cccc1)c1NC(c1c(CCCCC2)n2c(-c(cc2)ccc2Cl)n1)=O)=O

InChI

InChI=1S/C23H22ClN3O3/c1-30-23(29)17-7-4-5-8-18(17)25-22(28)20-19-9-3-2-6-14-27(19)21(26-20)15-10-12-16(24)13-11-15/h4-5,7-8,10-13H,2-3,6,9,14H2,1H3,(H,25,28)

InChI Key

ZBELPSMJCXJWEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.497

Distribution Coefficient, logD

5.429

Water Solubility, LogSw

-5.86

Polar Surface Area

54.646

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

E711-0031 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E711-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0031?
Check Price and Availability of E711-0031, 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 E711-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0031
  • 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 E711-0031 available by request