E715-0531 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide

E715-0531 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide
E715-0531 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0531
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-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

E715-0531

Molecular Formula

C26H34N6O2 (C26 H34 N6 O2)

Compound Name

1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-[2-(4-ethoxyphenyl)ethyl]piperidine-4-carboxamide

SMILES

CCOc1ccc(CCNC(C(CC2)CCN2c2ncnc3c2nc2n3CCCCC2)=O)cc1

InChI

InChI=1S/C26H34N6O2/c1-2-34-21-9-7-19(8-10-21)11-14-27-26(33)20-12-16-31(17-13-20)24-23-25(29-18-28-24)32-15-5-3-4-6-22(32)30-23/h7-10,18,20H,2-6,11-17H2,1H3,(H,27,33)

InChI Key

IUCVJYPPOXFQDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911715

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.481

Distribution Coefficient, logD

3.475

Water Solubility, LogSw

-3.24

Polar Surface Area

67.974

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

E715-0531 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E715-0531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0531?
Check Price and Availability of E715-0531, 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 E715-0531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0531
  • 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 E715-0531 available by request