D228-1379 Screening compound: 3-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

D228-1379 Screening compound: 3-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
D228-1379 Screening compound: 3-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D228-1379
3-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

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

D228-1379

Molecular Formula

C16H11ClN4S (C16 H11 ClN4 S)

Compound Name

3-[(4-chlorophenyl)methyl]-6-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

IUPAC name

3-[(4-chlorophenyl)methyl]-6-phenyl-[124]triazolo[34-b][134]thiadiazole

SMILES

Clc1ccc(Cc2nnc3sc(-c4ccccc4)nn23)cc1

InChI

InChI=1S/C16H11ClN4S/c17-13-8-6-11(7-9-13)10-14-18-19-16-21(14)20-15(22-16)12-4-2-1-3-5-12/h1-9H,10H2

InChI Key

BAHUKPLREPIXDN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01761229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.81

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-4.52

Polar Surface Area

34.698

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D228-1379 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D228-1379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D228-1379?
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What is the minimum amount of D228-1379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D228-1379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D228-1379
  • 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 D228-1379 available by request