0272-0165 Screening compound: 2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetic acid

0272-0165 Screening compound: 2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetic acid
0272-0165 Screening compound: 2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0272-0165
2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetic acid

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

0272-0165

Molecular Formula

C11H8N4O2S (C11 H8 N4 O2 S)

Compound Name

2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetic acid

IUPAC name

2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}acetic acid

SMILES

OC(CSc1nnc(c(cccc2)c2[nH]2)c2n1)=O

InChI

InChI=1S/C11H8N4O2S/c16-8(17)5-18-11-13-10-9(14-15-11)6-3-1-2-4-7(6)12-10/h1-4H,5H2,(H,16,17)(H,12,13,15)

InChI Key

FOTWYBLOBBPUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00170138

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.789

Distribution Coefficient, logD

-2.504

Water Solubility, LogSw

-2.15

Polar Surface Area

70.190

Acid Dissociation Constant (pKa)

4.11

Base Dissociation Constant (pKb)

0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

0272-0165 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Cardiovascular Library (22201 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 0272-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0272-0165?
Check Price and Availability of 0272-0165, 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 0272-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0272-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0272-0165
  • 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 0272-0165 available by request