E715-0236 Screening compound: ethyl 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)piperidine-4-carboxylate

E715-0236 Screening compound: ethyl 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)piperidine-4-carboxylate
E715-0236 Screening compound: ethyl 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0236
ethyl 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-carbonyl)piperidine-4-carboxylate

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

E715-0236

Molecular Formula

C24H34N6O3 (C24 H34 N6 O3)

Compound Name

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

IUPAC name

ethyl 1-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-3-carbonyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)=O)=O

InChI

InChI=1S/C24H34N6O3/c1-2-33-24(32)17-9-13-28(14-10-17)23(31)18-7-6-11-29(15-18)21-20-22(26-16-25-21)30-12-5-3-4-8-19(30)27-20/h16-18H,2-15H2,1H3/t18-/m0/s1

InChI Key

SQUKIRXXWBNLBC-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14911515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.555

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.22

Polar Surface Area

73.931

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.80

E715-0236 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 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)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • 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 E715-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0236?
Check Price and Availability of E715-0236, 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 E715-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0236
  • 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 E715-0236 available by request