8537-2803 Screening compound: 6-(4-chlorophenyl)-3-(propan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

8537-2803 Screening compound: 6-(4-chlorophenyl)-3-(propan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
8537-2803 Screening compound: 6-(4-chlorophenyl)-3-(propan-2-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8537-2803
6-(4-chlorophenyl)-3-(propan-2-yl)-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

8537-2803

Molecular Formula

C13H13ClN4S (C13 H13 ClN4 S)

Compound Name

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

IUPAC name

6-(4-chlorophenyl)-3-(propan-2-yl)-7H-[124]triazolo[34-b][134]thiadiazine

SMILES

CC(C)c1nnc2SCC(c(cc3)ccc3Cl)=Nn12

InChI

InChI=1S/C13H13ClN4S/c1-8(2)12-15-16-13-18(12)17-11(7-19-13)9-3-5-10(14)6-4-9/h3-6,8H,7H2,1-2H3

InChI Key

ZOFHBKKGKAZUIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08052524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.750

Distribution Coefficient, logD

3.741

Water Solubility, LogSw

-4.36

Polar Surface Area

34.230

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

8537-2803 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

CNS BBB Library (22607 compounds)

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8537-2803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8537-2803?
Check Price and Availability of 8537-2803, 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 8537-2803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8537-2803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8537-2803
  • 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 8537-2803 available by request