E714-0045 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide

E714-0045 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide
E714-0045 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 E714-0045
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

E714-0045

Molecular Formula

C22H27N5O4 (C22 H27 N5 O4)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-{4-oxo-3H4H6H7H8H9H10H-azepino[21-h]purin-3-yl}acetamide

SMILES

COc(ccc(CCNC(CN(C=Nc1c2nc3n1CCCCC3)C2=O)=O)c1)c1OC

InChI

InChI=1S/C22H27N5O4/c1-30-16-8-7-15(12-17(16)31-2)9-10-23-19(28)13-26-14-24-21-20(22(26)29)25-18-6-4-3-5-11-27(18)21/h7-8,12,14H,3-6,9-11,13H2,1-2H3,(H,23,28)

InChI Key

VAJVEGLIVRLDPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.853

Distribution Coefficient, logD

0.852

Water Solubility, LogSw

-2.15

Polar Surface Area

78.702

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

E714-0045 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E714-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E714-0045?
Check Price and Availability of E714-0045, 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 E714-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E714-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E714-0045
  • 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 E714-0045 available by request