D396-0079 Screening compound: 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

D396-0079 Screening compound: 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
D396-0079 Screening compound: 6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound D396-0079
6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

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

D396-0079

Molecular Formula

C10H7ClN4S (C10 H7 ClN4 S)

Compound Name

6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

IUPAC name

6-(4-chlorophenyl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

Clc(cc1)ccc1C(CS1)=Nn2c1nnc2

InChI

InChI=1S/C10H7ClN4S/c11-8-3-1-7(2-4-8)9-5-16-10-13-12-6-15(10)14-9/h1-4,6H,5H2

InChI Key

YASPIEJPERVSMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00268840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.71

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.489

Distribution Coefficient, logD

2.462

Water Solubility, LogSw

-3.06

Polar Surface Area

34.952

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D396-0079 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS BBB Library (22607 compounds)

Fragments Library (11262 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D396-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D396-0079?
Check Price and Availability of D396-0079, 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 D396-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D396-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D396-0079
  • 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 D396-0079 available by request