8013-0921 Screening compound: 5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole

8013-0921 Screening compound: 5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole
8013-0921 Screening compound: 5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0921
5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-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

8013-0921

Molecular Formula

C17H12N6OS (C17 H12 N6 OS)

Compound Name

5-[({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole

IUPAC name

5-[({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-213-benzoxadiazole

SMILES

Cn1c2nc(SCc3cc4nonc4cc3)nnc2c2c1cccc2

InChI

InChI=1S/C17H12N6OS/c1-23-14-5-3-2-4-11(14)15-16(23)18-17(20-19-15)25-9-10-6-7-12-13(8-10)22-24-21-12/h2-8H,9H2,1H3

InChI Key

OEFGNEWXBMYHQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.524

Distribution Coefficient, logD

3.524

Water Solubility, LogSw

-3.88

Polar Surface Area

69.108

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8013-0921 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0921?
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What is the minimum amount of 8013-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0921
  • 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 8013-0921 available by request