G786-1972 Screening compound: 3-methyl-7-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

G786-1972 Screening compound: 3-methyl-7-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
G786-1972 Screening compound: 3-methyl-7-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G786-1972
3-methyl-7-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-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

G786-1972

Molecular Formula

C13H9N5O4S2 (C13 H9 N5 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC1=NN=C2SC(SCC(c(cc3)ccc3[N+]([O-])=O)=O)=NN2C1=O

InChI

InChI=1S/C13H9N5O4S2/c1-7-11(20)17-12(15-14-7)24-13(16-17)23-6-10(19)8-2-4-9(5-3-8)18(21)22/h2-5H,6H2,1H3

InChI Key

BEHVMWNUTQSINF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06749224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.38

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.623

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-2.86

Polar Surface Area

94.318

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

6.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with G786-1972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G786-1972?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G786-1972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G786-1972
  • 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 G786-1972 available by request