E679-0729 Screening compound: N-(4-bromophenyl)-N-methyl-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine

E679-0729 Screening compound: N-(4-bromophenyl)-N-methyl-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine
E679-0729 Screening compound: N-(4-bromophenyl)-N-methyl-6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E679-0729
N-(4-bromophenyl)-N-methyl-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

E679-0729

Molecular Formula

C17H18BrN5 (C17 H18 BrN5)

Compound Name

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

IUPAC name

N-(4-bromophenyl)-N-methyl-6H7H8H9H10H-azepino[21-h]purin-4-amine

SMILES

CN(c(cc1)ccc1Br)c1ncnc2c1nc1n2CCCCC1

InChI

InChI=1S/C17H18BrN5/c1-22(13-8-6-12(18)7-9-13)16-15-17(20-11-19-16)23-10-4-2-3-5-14(23)21-15/h6-9,11H,2-5,10H2,1H3

InChI Key

WXXQQYBLFGGESQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14909563

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.909

Distribution Coefficient, logD

3.907

Water Solubility, LogSw

-3.93

Polar Surface Area

35.316

Acid Dissociation Constant (pKa)

18.78

Base Dissociation Constant (pKb)

4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

E679-0729 in Drug Discovery

Included in Screening Libraries

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)

New Agro Library (44492 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E679-0729 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E679-0729?
Check Price and Availability of E679-0729, 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 E679-0729 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E679-0729
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E679-0729
  • 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 E679-0729 available by request