J108-0608 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

J108-0608 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
J108-0608 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J108-0608
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

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

J108-0608

Molecular Formula

C22H20N4O2 (C22 H20 N4 O2)

Compound Name

7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

IUPAC name

7-(34-dihydro-2H-15-benzodioxepin-7-yl)-2-(2-phenylethyl)-[124]triazolo[15-a]pyrimidine

SMILES

C(Cc1ccccc1)c1nn2c(-c(cc3)cc4c3OCCCO4)ccnc2n1

InChI

InChI=1S/C22H20N4O2/c1-2-5-16(6-3-1)7-10-21-24-22-23-12-11-18(26(22)25-21)17-8-9-19-20(15-17)28-14-4-13-27-19/h1-3,5-6,8-9,11-12,15H,4,7,10,13-14H2

InChI Key

QUWJBXIBCWTEAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27962686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.537

Distribution Coefficient, logD

3.537

Water Solubility, LogSw

-3.68

Polar Surface Area

47.086

Acid Dissociation Constant (pKa)

26.05

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

J108-0608 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
  • Cancer
  • Hemic and lymphatic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J108-0608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J108-0608?
Check Price and Availability of J108-0608, 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 J108-0608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J108-0608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J108-0608
  • 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 J108-0608 available by request