D181-0143 Screening compound: 3-{6-[(1E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

D181-0143 Screening compound: 3-{6-[(1E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine
D181-0143 Screening compound: 3-{6-[(1E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D181-0143
3-{6-[(1E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-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

D181-0143

Molecular Formula

C16H10ClN5S (C16 H10 ClN5 S)

Compound Name

3-{6-[(1E)-2-(4-chlorophenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl}pyridine

IUPAC name

3-{6-[(1E)-2-(4-chlorophenyl)ethenyl]-[124]triazolo[34-b][134]thiadiazol-3-yl}pyridine

SMILES

Clc1ccc(/C=C/c(s2)nn3c2nnc3-c2cnccc2)cc1

InChI

InChI=1S/C16H10ClN5S/c17-13-6-3-11(4-7-13)5-8-14-21-22-15(19-20-16(22)23-14)12-2-1-9-18-10-12/h1-10H

InChI Key

NHQJDAVTGBKRFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06438908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.81

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.114

Distribution Coefficient, logD

3.114

Water Solubility, LogSw

-3.64

Polar Surface Area

43.735

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

4.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

D181-0143 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D181-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D181-0143?
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What is the minimum amount of D181-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D181-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D181-0143
  • 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 D181-0143 available by request