E715-0048 Screening compound: ethyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-amido)benzoate

E715-0048 Screening compound: ethyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-amido)benzoate
E715-0048 Screening compound: ethyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0048
ethyl 2-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-3-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

E715-0048

Molecular Formula

C25H30N6O3 (C25 H30 N6 O3)

Compound Name

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

IUPAC name

ethyl 2-(1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}piperidine-3-amido)benzoate

SMILES

CCOC(c(cccc1)c1NC(C(CCC1)CN1c1ncnc2c1nc1n2CCCCC1)=O)=O

InChI

InChI=1S/C25H30N6O3/c1-2-34-25(33)18-10-5-6-11-19(18)28-24(32)17-9-8-13-30(15-17)22-21-23(27-16-26-22)31-14-7-3-4-12-20(31)29-21/h5-6,10-11,16-17H,2-4,7-9,12-15H2,1H3,(H,28,32)/t17-/m0/s1

InChI Key

VIWRMLXLXCYBLD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14911387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.662

Distribution Coefficient, logD

3.551

Water Solubility, LogSw

-3.74

Polar Surface Area

79.676

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.00

E715-0048 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E715-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0048?
Check Price and Availability of E715-0048, 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 E715-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0048
  • 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 E715-0048 available by request