8018-8096 Screening compound: N-(4-chlorophenyl)-N-[3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]amine

8018-8096 Screening compound: N-(4-chlorophenyl)-N-[3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]amine
8018-8096 Screening compound: N-(4-chlorophenyl)-N-[3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8096
N-(4-chlorophenyl)-N-[3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]amine

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

8018-8096

Molecular Formula

C13H8ClN5S2 (C13 H8 ClN5 S2)

Compound Name

N-(4-chlorophenyl)-N-[3-(2-thienyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]amine

IUPAC name

N-(4-chlorophenyl)-3-(thiophen-2-yl)-[124]triazolo[34-b][134]thiadiazol-6-amine

SMILES

Clc(cc1)ccc1Nc(s1)nn2c1nnc2-c1cccs1

InChI

InChI=1S/C13H8ClN5S2/c14-8-3-5-9(6-4-8)15-12-18-19-11(10-2-1-7-20-10)16-17-13(19)21-12/h1-7H,(H,15,18)

InChI Key

NFOIQKBGNQKSNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.82

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

4.266

Water Solubility, LogSw

-4.61

Polar Surface Area

43.965

Acid Dissociation Constant (pKa)

17.02

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8018-8096 in Drug Discovery

Included in Screening Libraries

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

C-Met Library (15277 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8096?
Check Price and Availability of 8018-8096, 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 8018-8096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8096
  • 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 8018-8096 available by request