G786-1971 Screening compound: 7-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

G786-1971 Screening compound: 7-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
G786-1971 Screening compound: 7-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-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 G786-1971
7-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-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

G786-1971

Molecular Formula

C13H9BrN4O2S2 (C13 H9 BrN4 O2 S2)

Compound Name

7-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

7-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-methyl-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CC1=NN=C2SC(SCC(c(cc3)ccc3Br)=O)=NN2C1=O

InChI

InChI=1S/C13H9BrN4O2S2/c1-7-11(20)18-12(16-15-7)22-13(17-18)21-6-10(19)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3

InChI Key

UUZYUIRGBBGMOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.28

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.531

Distribution Coefficient, logD

3.439

Water Solubility, LogSw

-3.73

Polar Surface Area

60.936

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

G786-1971 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G786-1971 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1971
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  • 1–2 days for small orders
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Delivery formats for G786-1971
  • 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 G786-1971 available by request