8542-5490 Screening compound: 7-(2-chlorophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole

8542-5490 Screening compound: 7-(2-chlorophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole
8542-5490 Screening compound: 7-(2-chlorophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8542-5490
7-(2-chlorophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole

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

8542-5490

Molecular Formula

C12H6ClN5O (C12 H6 ClN5 O)

Compound Name

7-(2-chlorophenyl)-7H-[1,2,3]triazolo[4,5-e][2,1,3]benzoxadiazole

IUPAC name

11-(2-chlorophenyl)-4-oxa-35101112-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)2579-pentaene

SMILES

Clc(cccc1)c1-n1nc2c3nonc3ccc2n1

InChI

InChI=1S/C12H6ClN5O/c13-7-3-1-2-4-10(7)18-14-8-5-6-9-12(11(8)15-18)17-19-16-9/h1-6H

InChI Key

JISFVABVIUBORV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02756254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.450

Distribution Coefficient, logD

3.450

Water Solubility, LogSw

-3.55

Polar Surface Area

60.832

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8542-5490 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8542-5490 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8542-5490?
Check Price and Availability of 8542-5490, 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 8542-5490 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8542-5490
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8542-5490
  • 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 8542-5490 available by request