E715-0413 Screening compound: methyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)benzoate

E715-0413 Screening compound: methyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)benzoate
E715-0413 Screening compound: methyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0413
methyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)benzoate

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

E715-0413

Molecular Formula

C24H28N6O3 (C24 H28 N6 O3)

Compound Name

methyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-amido)benzoate

IUPAC name

methyl 2-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-4-amido)benzoate

SMILES

COC(c(cccc1)c1NC(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)=O)=O

InChI

InChI=1S/C24H28N6O3/c1-33-24(32)17-7-4-5-8-18(17)27-23(31)16-10-13-29(14-11-16)21-20-22(26-15-25-21)30-12-6-2-3-9-19(30)28-20/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,27,31)

InChI Key

DBADVSPKXDFFNO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

3.199

Water Solubility, LogSw

-3.49

Polar Surface Area

80.163

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.80

E715-0413 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E715-0413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0413?
Check Price and Availability of E715-0413, 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 E715-0413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0413
  • 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 E715-0413 available by request