4593-0422 Screening compound: 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

4593-0422 Screening compound: 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
4593-0422 Screening compound: 6-(4-chlorophenyl)-3-ethyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4593-0422
6-(4-chlorophenyl)-3-ethyl-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

4593-0422

Molecular Formula

C12H11ClN4S (C12 H11 ClN4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc1nnc2SCC(c(cc3)ccc3Cl)=Nn12

InChI

InChI=1S/C12H11ClN4S/c1-2-11-14-15-12-17(11)16-10(7-18-12)8-3-5-9(13)6-4-8/h3-6H,2,7H2,1H3

InChI Key

FVLFZPYCQSCXQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01435893

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.77

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

3.183

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.61

Polar Surface Area

35.206

Acid Dissociation Constant (pKa)

19.07

Base Dissociation Constant (pKb)

5.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

4593-0422 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4593-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4593-0422?
Check Price and Availability of 4593-0422, 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 4593-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4593-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4593-0422
  • 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 4593-0422 available by request