E714-0054 Screening compound: N-(4-ethylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide

E714-0054 Screening compound: N-(4-ethylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide
E714-0054 Screening compound: N-(4-ethylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E714-0054
N-(4-ethylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide

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

E714-0054

Molecular Formula

C20H23N5O2 (C20 H23 N5 O2)

Compound Name

N-(4-ethylphenyl)-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide

IUPAC name

N-(4-ethylphenyl)-2-{4-oxo-3H4H6H7H8H9H10H-azepino[21-h]purin-3-yl}acetamide

SMILES

CCc(cc1)ccc1NC(CN(C=Nc1c2nc3n1CCCCC3)C2=O)=O

InChI

InChI=1S/C20H23N5O2/c1-2-14-7-9-15(10-8-14)22-17(26)12-24-13-21-19-18(20(24)27)23-16-6-4-3-5-11-25(16)19/h7-10,13H,2-6,11-12H2,1H3,(H,22,26)

InChI Key

RDNFAACAGTYBSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601172

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.20

Polar Surface Area

62.278

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E714-0054 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Targets:
  • Ion Channels
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E714-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E714-0054?
Check Price and Availability of E714-0054, 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 E714-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E714-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E714-0054
  • 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 E714-0054 available by request