E715-0601 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)-4-benzylpiperazine

E715-0601 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)-4-benzylpiperazine
E715-0601 Screening compound: 1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)-4-benzylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0601
1-(1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}piperidine-4-carbonyl)-4-benzylpiperazine

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

E715-0601

Molecular Formula

C27H35N7O (C27 H35 N7 O)

Compound Name

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

IUPAC name

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

SMILES

O=C(C(CC1)CCN1c1ncnc2c1nc1n2CCCCC1)N1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C27H35N7O/c35-27(33-17-15-31(16-18-33)19-21-7-3-1-4-8-21)22-10-13-32(14-11-22)25-24-26(29-20-28-25)34-12-6-2-5-9-23(34)30-24/h1,3-4,7-8,20,22H,2,5-6,9-19H2

InChI Key

UKAGKQDHWJKZQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14911764

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.168

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-2.99

Polar Surface Area

56.784

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.60

E715-0601 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • 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:
  • Mimetics

References: we are preparing a list of scientific research reports with E715-0601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0601?
Check Price and Availability of E715-0601, 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 E715-0601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0601
  • 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 E715-0601 available by request