D731-0395 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole

D731-0395 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole
D731-0395 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0395
4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-1-(3-chloro-4-methylphenyl)-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

D731-0395

Molecular Formula

C20H16ClN7S (C20 H16 ClN7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(s2)nn3c2nnc3Cc2ccccc2)nnn1-c1cc(Cl)c(C)cc1

InChI

InChI=1S/C20H16ClN7S/c1-12-8-9-15(11-16(12)21)27-13(2)18(23-26-27)19-25-28-17(22-24-20(28)29-19)10-14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3

InChI Key

DFNKRLSNJUDREH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.91

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

4.205

Distribution Coefficient, logD

4.205

Water Solubility, LogSw

-4.39

Polar Surface Area

61.541

Acid Dissociation Constant (pKa)

22.26

Base Dissociation Constant (pKb)

-0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D731-0395 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Protein Kinases Inhibitors Library (36801 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
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D731-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0395?
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What is the minimum amount of D731-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0395
  • 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 D731-0395 available by request