D727-0308 Screening compound: 7-benzyl-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

D727-0308 Screening compound: 7-benzyl-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
D727-0308 Screening compound: 7-benzyl-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D727-0308
7-benzyl-3-methyl-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

D727-0308

Molecular Formula

C12H10N4OS (C12 H10 N4 OS)

Compound Name

7-benzyl-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

7-benzyl-3-methyl-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CC1=NN=C2SC(Cc3ccccc3)=NN2C1=O

InChI

InChI=1S/C12H10N4OS/c1-8-11(17)16-12(14-13-8)18-10(15-16)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3

InChI Key

KSWGUILSBNTGPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08072300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

258.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.417

Distribution Coefficient, logD

2.326

Water Solubility, LogSw

-2.41

Polar Surface Area

47.173

Acid Dissociation Constant (pKa)

17.70

Base Dissociation Constant (pKb)

6.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

D727-0308 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with D727-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D727-0308?
Check Price and Availability of D727-0308, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D727-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D727-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D727-0308
  • 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 D727-0308 available by request