6481-7282 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one

6481-7282 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one
6481-7282 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6481-7282
1-(2H-1,3-benzodioxol-5-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one

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

6481-7282

Molecular Formula

C15H11N3O3S (C15 H11 N3 O3 S)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-2-{[1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl}ethan-1-one

IUPAC name

1-(2H-13-benzodioxol-5-yl)-2-{[124]triazolo[43-a]pyridin-3-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1nnc2n1cccc2)c(cc1)cc2c1OCO2

InChI

InChI=1S/C15H11N3O3S/c19-11(10-4-5-12-13(7-10)21-9-20-12)8-22-15-17-16-14-3-1-2-6-18(14)15/h1-7H,8-9H2

InChI Key

JWOWDHWRHREXHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05866316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.241

Water Solubility, LogSw

-2.72

Polar Surface Area

52.521

Acid Dissociation Constant (pKa)

16.58

Base Dissociation Constant (pKb)

-7.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

6481-7282 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Aging Library (44940 compounds)

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

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6481-7282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6481-7282?
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What is the minimum amount of 6481-7282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6481-7282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6481-7282
  • 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 6481-7282 available by request