E715-0027 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide

E715-0027 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide
E715-0027 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0027
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-[(2-methoxyphenyl)methyl]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

E715-0027

Molecular Formula

C24H30N6O2 (C24 H30 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

COc1c(CNC(C(CCC2)CN2c2ncnc3c2nc2n3CCCCC2)=O)cccc1

InChI

InChI=1S/C24H30N6O2/c1-32-19-10-5-4-8-17(19)14-25-24(31)18-9-7-12-29(15-18)22-21-23(27-16-26-22)30-13-6-2-3-11-20(30)28-21/h4-5,8,10,16,18H,2-3,6-7,9,11-15H2,1H3,(H,25,31)/t18-/m0/s1

InChI Key

ZMLOUHGQVKDAHQ-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14911372

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.005

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-3.17

Polar Surface Area

68.573

Acid Dissociation Constant (pKa)

12.36

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

E715-0027 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E715-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0027?
Check Price and Availability of E715-0027, 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 E715-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0027
  • 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 E715-0027 available by request