E714-0261 Screening compound: 3-{2-[4-(3-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-3,6,7,8,9,10-HEXAHYDRO-4H-AZEPINO[1,2-E]PURIN-4-ONE

E714-0261 Screening compound: 3-{2-[4-(3-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-3,6,7,8,9,10-HEXAHYDRO-4H-AZEPINO[1,2-E]PURIN-4-ONE
E714-0261 Screening compound: 3-{2-[4-(3-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-3,6,7,8,9,10-HEXAHYDRO-4H-AZEPINO[1,2-E]PURIN-4-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound E714-0261
3-{2-[4-(3-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-3,6,7,8,9,10-HEXAHYDRO-4H-AZEPINO[1,2-E]PURIN-4-ONE

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

E714-0261

Molecular Formula

C22H25ClN6O2 (C22 H25 ClN6 O2)

Compound Name

3-{2-[4-(3-CHLOROPHENYL)PIPERAZINO]-2-OXOETHYL}-3,6,7,8,9,10-HEXAHYDRO-4H-AZEPINO[1,2-E]PURIN-4-ONE

IUPAC name

n/a

SMILES

O=C(CN(C=Nc1c2nc3n1CCCCC3)C2=O)N(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C22H25ClN6O2/c23-16-5-4-6-17(13-16)26-9-11-27(12-10-26)19(30)14-28-15-24-21-20(22(28)31)25-18-7-2-1-3-8-29(18)21/h4-6,13,15H,1-3,7-12,14H2

InChI Key

CIMBLDKBSFGVRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911348

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.152

Distribution Coefficient, logD

2.151

Water Solubility, LogSw

-2.99

Polar Surface Area

58.781

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

E714-0261 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E714-0261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E714-0261?
Check Price and Availability of E714-0261, 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 E714-0261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E714-0261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E714-0261
  • 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 E714-0261 available by request