3653-0392 Screening compound: N-phenyl-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

3653-0392 Screening compound: N-phenyl-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide
3653-0392 Screening compound: N-phenyl-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3653-0392
N-phenyl-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

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

3653-0392

Molecular Formula

C17H13N5OS (C17 H13 N5 OS)

Compound Name

N-phenyl-2-{5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl}acetamide

IUPAC name

N-phenyl-2-{5H-[124]triazino[56-b]indol-3-ylsulfanyl}acetamide

SMILES

O=C(CSc1nnc(c(cccc2)c2[nH]2)c2n1)Nc1ccccc1

InChI

InChI=1S/C17H13N5OS/c23-14(18-11-6-2-1-3-7-11)10-24-17-20-16-15(21-22-17)12-8-4-5-9-13(12)19-16/h1-9H,10H2,(H,18,23)(H,19,20,22)

InChI Key

PAKGEFSXOKPBSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01799316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.508

Distribution Coefficient, logD

2.508

Water Solubility, LogSw

-2.90

Polar Surface Area

64.684

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

3653-0392 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiparasite Library (23996 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Infections
  • Immune system
  • animal
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3653-0392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3653-0392?
Check Price and Availability of 3653-0392, 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 3653-0392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3653-0392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3653-0392
  • 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 3653-0392 available by request