E679-0846 Screening compound: 4-({6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}amino)-N,N-diethylbenzene-1-sulfonamide

E679-0846 Screening compound: 4-({6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}amino)-N,N-diethylbenzene-1-sulfonamide
E679-0846 Screening compound: 4-({6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}amino)-N,N-diethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0846
4-({6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}amino)-N,N-diethylbenzene-1-sulfonamide

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

E679-0846

Molecular Formula

C20H26N6O2S (C20 H26 N6 O2 S)

Compound Name

4-({6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}amino)-N,N-diethylbenzene-1-sulfonamide

IUPAC name

4-({6H7H8H9H10H-azepino[21-h]purin-4-yl}amino)-NN-diethylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1Nc1ncnc2c1nc1n2CCCCC1)(=O)=O

InChI

InChI=1S/C20H26N6O2S/c1-3-25(4-2)29(27,28)16-11-9-15(10-12-16)23-19-18-20(22-14-21-19)26-13-7-5-6-8-17(26)24-18/h9-12,14H,3-8,13H2,1-2H3,(H,21,22,23)

InChI Key

PZRGADXIEJZQOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.060

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-3.47

Polar Surface Area

73.859

Acid Dissociation Constant (pKa)

14.82

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

E679-0846 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E679-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0846?
Check Price and Availability of E679-0846, 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 E679-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0846
  • 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 E679-0846 available by request