8019-4261 Screening compound: 2-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

8019-4261 Screening compound: 2-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine
8019-4261 Screening compound: 2-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4261
2-{3-cyclohexyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}pyridine

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

8019-4261

Molecular Formula

C14H15N5S (C14 H15 N5 S)

Compound Name

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

IUPAC name

2-{3-cyclohexyl-[124]triazolo[34-b][134]thiadiazol-6-yl}pyridine

SMILES

C(CC1)CCC1c1nnc2sc(-c3ncccc3)nn12

InChI

InChI=1S/C14H15N5S/c1-2-6-10(7-3-1)12-16-17-14-19(12)18-13(20-14)11-8-4-5-9-15-11/h4-5,8-10H,1-3,6-7H2

InChI Key

LWVTZFJLQSYOSF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05690129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.878

Distribution Coefficient, logD

2.878

Water Solubility, LogSw

-2.91

Polar Surface Area

42.962

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

8019-4261 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

GABA Library (7115 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8019-4261 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4261?
Check Price and Availability of 8019-4261, 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 8019-4261 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4261
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4261
  • 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 8019-4261 available by request