D035-0152 Screening compound: 7-(benzylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D035-0152 Screening compound: 7-(benzylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D035-0152 Screening compound: 7-(benzylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D035-0152
7-(benzylsulfanyl)-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

D035-0152

Molecular Formula

C11H8N4OS2 (C11 H8 N4 OS2)

Compound Name

7-(benzylsulfanyl)-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

7-(benzylsulfanyl)-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

O=C1N2N=C(SCc3ccccc3)SC2=NN=C1

InChI

InChI=1S/C11H8N4OS2/c16-9-6-12-13-10-15(9)14-11(18-10)17-7-8-4-2-1-3-5-8/h1-6H,7H2

InChI Key

ZRNONDNZKLYXFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.34

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

2.566

Distribution Coefficient, logD

2.550

Water Solubility, LogSw

-2.69

Polar Surface Area

50.404

Acid Dissociation Constant (pKa)

34.26

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.09

References: we are preparing a list of scientific research reports with D035-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D035-0152?
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What is the minimum amount of D035-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D035-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D035-0152
  • 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 D035-0152 available by request