E711-0142 Screening compound: methyl 3-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]thiophene-2-carboxylate

E711-0142 Screening compound: methyl 3-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]thiophene-2-carboxylate
E711-0142 Screening compound: methyl 3-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0142
methyl 3-[3-(4-chlorophenyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-amido]thiophene-2-carboxylate

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

E711-0142

Molecular Formula

C21H20ClN3O3S (C21 H20 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COC(c(scc1)c1NC(c1c(CCCCC2)n2c(-c(cc2)ccc2Cl)n1)=O)=O

InChI

InChI=1S/C21H20ClN3O3S/c1-28-21(27)18-15(10-12-29-18)23-20(26)17-16-5-3-2-4-11-25(16)19(24-17)13-6-8-14(22)9-7-13/h6-10,12H,2-5,11H2,1H3,(H,23,26)

InChI Key

FVYUPCNUORYIHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.93

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

5.191

Distribution Coefficient, logD

5.056

Water Solubility, LogSw

-5.58

Polar Surface Area

55.665

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

2.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E711-0142 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E711-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0142?
Check Price and Availability of E711-0142, 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 E711-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0142
  • 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 E711-0142 available by request