8013-1202 Screening compound: 5-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole

8013-1202 Screening compound: 5-({[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}methyl)-2,1,3-benzoxadiazole
8013-1202 Screening compound: 5-({[5-(propan-2-yl)-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 8013-1202
5-({[5-(propan-2-yl)-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

8013-1202

Molecular Formula

C19H16N6OS (C19 H16 N6 OS)

Compound Name

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

IUPAC name

5-({[5-(propan-2-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}methyl)-213-benzoxadiazole

SMILES

CC(C)n1c2nc(SCc3cc4nonc4cc3)nnc2c2c1cccc2

InChI

InChI=1S/C19H16N6OS/c1-11(2)25-16-6-4-3-5-13(16)17-18(25)20-19(22-21-17)27-10-12-7-8-14-15(9-12)24-26-23-14/h3-9,11H,10H2,1-2H3

InChI Key

QZUAHPHJAARMBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03409110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.356

Distribution Coefficient, logD

4.356

Water Solubility, LogSw

-4.40

Polar Surface Area

69.373

Acid Dissociation Constant (pKa)

18.96

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8013-1202 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8013-1202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1202?
Check Price and Availability of 8013-1202, 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 8013-1202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1202
  • 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 8013-1202 available by request