D035-0118 Screening compound: 3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D035-0118 Screening compound: 3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D035-0118 Screening compound: 3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D035-0118
3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

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

D035-0118

Molecular Formula

C13H12N4OS2 (C13 H12 N4 OS2)

Compound Name

3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

3-methyl-7-{[(2-methylphenyl)methyl]sulfanyl}-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

Cc1c(CSC(SC2=NN=C3C)=NN2C3=O)cccc1

InChI

InChI=1S/C13H12N4OS2/c1-8-5-3-4-6-10(8)7-19-13-16-17-11(18)9(2)14-15-12(17)20-13/h3-6H,7H2,1-2H3

InChI Key

YMVFWJJAQMNNLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.973

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-3.96

Polar Surface Area

47.689

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

7.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

D035-0118 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D035-0118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D035-0118?
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What is the minimum amount of D035-0118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D035-0118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D035-0118
  • 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 D035-0118 available by request