E679-0661 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-benzylpiperazine

E679-0661 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-benzylpiperazine
E679-0661 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-4-benzylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0661
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-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

E679-0661

Molecular Formula

C21H26N6 (C21 H26 N6)

Compound Name

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

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-4-benzylpiperazine

SMILES

C(c1ccccc1)N(CC1)CCN1c1ncnc2c1nc1n2CCCCC1

InChI

InChI=1S/C21H26N6/c1-3-7-17(8-4-1)15-25-11-13-26(14-12-25)20-19-21(23-16-22-20)27-10-6-2-5-9-18(27)24-19/h1,3-4,7-8,16H,2,5-6,9-15H2

InChI Key

XHCXJGOGYMVBQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909548

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.251

Distribution Coefficient, logD

3.202

Water Solubility, LogSw

-3.03

Polar Surface Area

40.136

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

6.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

E679-0661 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E679-0661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0661?
Check Price and Availability of E679-0661, 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 E679-0661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0661
  • 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 E679-0661 available by request