J108-0602 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

J108-0602 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
J108-0602 Screening compound: 7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound J108-0602
7-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(methoxymethyl)-[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

J108-0602

Molecular Formula

C16H16N4O3 (C16 H16 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

COCc1nn2c(-c(cc3)cc4c3OCCCO4)ccnc2n1

InChI

InChI=1S/C16H16N4O3/c1-21-10-15-18-16-17-6-5-12(20(16)19-15)11-3-4-13-14(9-11)23-8-2-7-22-13/h3-6,9H,2,7-8,10H2,1H3

InChI Key

SIABYTUVSSYCLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28028844

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.33

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.162

Distribution Coefficient, logD

1.162

Water Solubility, LogSw

-1.60

Polar Surface Area

55.782

Acid Dissociation Constant (pKa)

27.33

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

J108-0602 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Cancer
  • Hemic and lymphatic
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J108-0602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J108-0602?
Check Price and Availability of J108-0602, 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 J108-0602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J108-0602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J108-0602
  • 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 J108-0602 available by request