8018-6345 Screening compound: 3-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

8018-6345 Screening compound: 3-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline
8018-6345 Screening compound: 3-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-6345
3-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

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

8018-6345

Molecular Formula

C9H7N5S (C9 H7 N5 S)

Compound Name

3-{[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}aniline

IUPAC name

3-{[124]triazolo[34-b][134]thiadiazol-6-yl}aniline

SMILES

Nc1cccc(-c(s2)nn3c2nnc3)c1

InChI

InChI=1S/C9H7N5S/c10-7-3-1-2-6(4-7)8-13-14-5-11-12-9(14)15-8/h1-5H,10H2

InChI Key

ACRZMZLGYMTIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05668065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

217.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.653

Distribution Coefficient, logD

0.653

Water Solubility, LogSw

-1.28

Polar Surface Area

55.450

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-6345 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with 8018-6345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-6345?
Check Price and Availability of 8018-6345, 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 8018-6345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-6345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-6345
  • 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 8018-6345 available by request