8013-0920 Screening compound: 5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole

8013-0920 Screening compound: 5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole
8013-0920 Screening compound: 5-[({8-bromo-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 8013-0920
5-[({8-bromo-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

8013-0920

Molecular Formula

C17H11BrN6OS (C17 H11 BrN6 OS)

Compound Name

5-[({8-bromo-5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)methyl]-2,1,3-benzoxadiazole

IUPAC name

5-[({8-bromo-5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)methyl]-213-benzoxadiazole

SMILES

Cn1c2nc(SCc3cc4nonc4cc3)nnc2c2c1ccc(Br)c2

InChI

InChI=1S/C17H11BrN6OS/c1-24-14-5-3-10(18)7-11(14)15-16(24)19-17(21-20-15)26-8-9-2-4-12-13(6-9)23-25-22-12/h2-7H,8H2,1H3

InChI Key

GKEJCVSHTBYBGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408887

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.28

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

4.360

Distribution Coefficient, logD

4.360

Water Solubility, LogSw

-4.40

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

8013-0920 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Anti-Inflammatory Library (24602 compounds)

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

DGK Inhibitors Library (10558 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0920?
Check Price and Availability of 8013-0920, 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 8013-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0920
  • 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 8013-0920 available by request