E679-0602 Screening compound: N-(3-chloro-4-fluorophenyl)-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine

E679-0602 Screening compound: N-(3-chloro-4-fluorophenyl)-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine
E679-0602 Screening compound: N-(3-chloro-4-fluorophenyl)-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0602
N-(3-chloro-4-fluorophenyl)-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine

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

E679-0602

Molecular Formula

C16H15ClFN5 (C16 H15 ClFN5)

Compound Name

N-(3-chloro-4-fluorophenyl)-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine

IUPAC name

N-(3-chloro-4-fluorophenyl)-6H7H8H9H10H-azepino[21-h]purin-4-amine

SMILES

Fc(ccc(Nc1ncnc2c1nc1n2CCCCC1)c1)c1Cl

InChI

InChI=1S/C16H15ClFN5/c17-11-8-10(5-6-12(11)18)21-15-14-16(20-9-19-15)23-7-3-1-2-4-13(23)22-14/h5-6,8-9H,1-4,7H2,(H,19,20,21)

InChI Key

FFSITPOTNLLEPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.866

Distribution Coefficient, logD

3.865

Water Solubility, LogSw

-4.21

Polar Surface Area

42.762

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

E679-0602 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Ion Channels Focused Library (26372 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E679-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0602?
Check Price and Availability of E679-0602, 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 E679-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0602
  • 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 E679-0602 available by request