G856-3745 Screening compound: 2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

G856-3745 Screening compound: 2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide
G856-3745 Screening compound: 2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-3745
2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

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

G856-3745

Molecular Formula

C17H13N5O2S2 (C17 H13 N5 O2 S2)

Compound Name

2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

IUPAC name

2-({3-methyl-4-oxo-4H-[134]thiadiazolo[23-c][124]triazin-7-yl}sulfanyl)-N-(naphthalen-1-yl)acetamide

SMILES

CC1=NN=C2SC(SCC(Nc3cccc4ccccc34)=O)=NN2C1=O

InChI

InChI=1S/C17H13N5O2S2/c1-10-15(24)22-16(20-19-10)26-17(21-22)25-9-14(23)18-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9H2,1H3,(H,18,23)

InChI Key

HUOOAOLCNFYHEJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.139

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.34

Polar Surface Area

69.869

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

G856-3745 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-3745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-3745?
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What is the minimum amount of G856-3745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-3745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-3745
  • 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 G856-3745 available by request