E711-0171 Screening compound: 3-(4-chlorophenyl)-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide

E711-0171 Screening compound: 3-(4-chlorophenyl)-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide
E711-0171 Screening compound: 3-(4-chlorophenyl)-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E711-0171
3-(4-chlorophenyl)-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-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

E711-0171

Molecular Formula

C28H35ClN4O2 (C28 H35 ClN4 O2)

Compound Name

3-(4-chlorophenyl)-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-5H,6H,7H,8H,9H-imidazo[1,5-a]azepine-1-carboxamide

IUPAC name

3-(4-chlorophenyl)-N-(3-{cyclopentyl[(furan-2-yl)methyl]amino}propyl)-5H6H7H8H9H-imidazo[15-a]azepine-1-carboxamide

SMILES

O=C(c1c(CCCCC2)n2c(-c(cc2)ccc2Cl)n1)NCCCN(Cc1ccco1)C1CCCC1

InChI

InChI=1S/C28H35ClN4O2/c29-22-14-12-21(13-15-22)27-31-26(25-11-2-1-5-18-33(25)27)28(34)30-16-7-17-32(23-8-3-4-9-23)20-24-10-6-19-35-24/h6,10,12-15,19,23H,1-5,7-9,11,16-18,20H2,(H,30,34)

InChI Key

JQALVOVZRXQZSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.06

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.677

Distribution Coefficient, logD

4.373

Water Solubility, LogSw

-6.11

Polar Surface Area

46.275

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E711-0171 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 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
Agro:
  • Agro
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E711-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E711-0171?
Check Price and Availability of E711-0171, 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 E711-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E711-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E711-0171
  • 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 E711-0171 available by request