D731-0397 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole

D731-0397 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole
D731-0397 Screening compound: 4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methyl-1-(3-methylphenyl)-1H-1,2,3-triazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0397
4-{3-benzyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl}-5-methyl-1-(3-methylphenyl)-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

D731-0397

Molecular Formula

C20H17N7S (C20 H17 N7 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(-c(s2)nn3c2nnc3Cc2ccccc2)nnn1-c1cc(C)ccc1

InChI

InChI=1S/C20H17N7S/c1-13-7-6-10-16(11-13)26-14(2)18(22-25-26)19-24-27-17(21-23-20(27)28-19)12-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3

InChI Key

HZOXAPCDLMNXQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07802228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.47

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

3.449

Distribution Coefficient, logD

3.449

Water Solubility, LogSw

-3.55

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

15.00

D731-0397 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 D731-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0397?
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What is the minimum amount of D731-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0397
  • 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 D731-0397 available by request