E715-0157 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(2,3-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

E715-0157 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(2,3-dimethoxyphenyl)ethyl]piperidine-3-carboxamide
E715-0157 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(2,3-dimethoxyphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0157
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[2-(2,3-dimethoxyphenyl)ethyl]piperidine-3-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

E715-0157

Molecular Formula

C26H34N6O3 (C26 H34 N6 O3)

Compound Name

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

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-[2-(23-dimethoxyphenyl)ethyl]piperidine-3-carboxamide

SMILES

COc1cccc(CCNC(C(CCC2)CN2c2ncnc3c2nc2n3CCCCC2)=O)c1OC

InChI

InChI=1S/C26H34N6O3/c1-34-20-10-6-8-18(23(20)35-2)12-13-27-26(33)19-9-7-14-31(16-19)24-22-25(29-17-28-24)32-15-5-3-4-11-21(32)30-22/h6,8,10,17,19H,3-5,7,9,11-16H2,1-2H3,(H,27,33)/t19-/m0/s1

InChI Key

IBTGUTOLGZAFGL-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14911464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.181

Water Solubility, LogSw

-3.16

Polar Surface Area

76.131

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

E715-0157 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E715-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0157?
Check Price and Availability of E715-0157, 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 E715-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0157
  • 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 E715-0157 available by request