D731-0396 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole

D731-0396 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole
D731-0396 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0396
4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole

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

D731-0396

Molecular Formula

C19H14ClN7S (C19 H14 ClN7 S)

Compound Name

4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazole

IUPAC name

4-{3-benzyl-[124]triazolo[34-b][134]thiadiazol-6-yl}-1-(4-chlorophenyl)-5-methyl-1H-123-triazole

SMILES

Cc1c(-c(s2)nn3c2nnc3Cc2ccccc2)nnn1-c(cc1)ccc1Cl

InChI

InChI=1S/C19H14ClN7S/c1-12-17(22-25-26(12)15-9-7-14(20)8-10-15)18-24-27-16(21-23-19(27)28-18)11-13-5-3-2-4-6-13/h2-10H,11H2,1H3

InChI Key

HZXZXQILYYAGPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.550

Distribution Coefficient, logD

3.550

Water Solubility, LogSw

-3.89

Polar Surface Area

61.541

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

D731-0396 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D731-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0396?
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What is the minimum amount of D731-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0396
  • 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 D731-0396 available by request