E714-0325 Screening compound: 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-one

E714-0325 Screening compound: 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-one
E714-0325 Screening compound: 3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E714-0325
3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]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

E714-0325

Molecular Formula

C22H32N6O2 (C22 H32 N6 O2)

Compound Name

3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-one

IUPAC name

3-[2-(4-cyclohexylpiperazin-1-yl)-2-oxoethyl]-3H4H6H7H8H9H10H-azepino[21-h]purin-4-one

SMILES

O=C(CN(C=Nc1c2nc3n1CCCCC3)C2=O)N(CC1)CCN1C1CCCCC1

InChI

InChI=1S/C22H32N6O2/c29-19(26-13-11-25(12-14-26)17-7-3-1-4-8-17)15-27-16-23-21-20(22(27)30)24-18-9-5-2-6-10-28(18)21/h16-17H,1-15H2

InChI Key

NZYYOQHJWVNPNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.590

Distribution Coefficient, logD

1.428

Water Solubility, LogSw

-1.69

Polar Surface Area

58.614

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

7.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

72.70

E714-0325 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with E714-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E714-0325?
Check Price and Availability of E714-0325, 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 E714-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E714-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E714-0325
  • 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 E714-0325 available by request