G786-0594 Screening compound: 3-(4-chlorophenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine

G786-0594 Screening compound: 3-(4-chlorophenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
G786-0594 Screening compound: 3-(4-chlorophenyl)-6-(4-nitrophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-0594
3-(4-chlorophenyl)-6-(4-nitrophenyl)-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

G786-0594

Molecular Formula

C16H10ClN5O2S (C16 H10 ClN5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

[O-][N+](c(cc1)ccc1C(CS1)=Nn2c1nnc2-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C16H10ClN5O2S/c17-12-5-1-11(2-6-12)15-18-19-16-21(15)20-14(9-25-16)10-3-7-13(8-4-10)22(23)24/h1-8H,9H2

InChI Key

CUNRKJOPMNPMQS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05705766

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

371.81

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

4.514

Water Solubility, LogSw

-4.91

Polar Surface Area

67.340

Acid Dissociation Constant (pKa)

19.46

Base Dissociation Constant (pKb)

4.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

G786-0594 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 G786-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-0594?
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What is the minimum amount of G786-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-0594
  • 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 G786-0594 available by request