G856-3754 Screening compound: N-(4-butylphenyl)-2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)acetamide

G856-3754 Screening compound: N-(4-butylphenyl)-2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)acetamide
G856-3754 Screening compound: N-(4-butylphenyl)-2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-3754
N-(4-butylphenyl)-2-({3-methyl-4-oxo-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-7-yl}sulfanyl)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

G856-3754

Molecular Formula

C17H19N5O2S2 (C17 H19 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCc(cc1)ccc1NC(CSC(SC1=NN=C2C)=NN1C2=O)=O

InChI

InChI=1S/C17H19N5O2S2/c1-3-4-5-12-6-8-13(9-7-12)18-14(23)10-25-17-21-22-15(24)11(2)19-20-16(22)26-17/h6-9H,3-5,10H2,1-2H3,(H,18,23)

InChI Key

XAPVBYLQYTYEAR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05896186

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.540

Distribution Coefficient, logD

4.536

Water Solubility, LogSw

-4.25

Polar Surface Area

70.839

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

5.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

G856-3754 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 G856-3754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-3754?
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What is the minimum amount of G856-3754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-3754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-3754
  • 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 G856-3754 available by request