Y010-0707 Screening compound: 3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

Y010-0707 Screening compound: 3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one
Y010-0707 Screening compound: 3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0707
3-tert-butyl-7-[(2-oxo-2-phenylethyl)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

Y010-0707

Molecular Formula

C16H16N4O2S2 (C16 H16 N4 O2 S2)

Compound Name

3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[1,3,4]thiadiazolo[2,3-c][1,2,4]triazin-4-one

IUPAC name

3-tert-butyl-7-[(2-oxo-2-phenylethyl)sulfanyl]-4H-[134]thiadiazolo[23-c][124]triazin-4-one

SMILES

CC(C)(C)C1=NN=C2SC(SCC(c3ccccc3)=O)=NN2C1=O

InChI

InChI=1S/C16H16N4O2S2/c1-16(2,3)12-13(22)20-14(18-17-12)24-15(19-20)23-9-11(21)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3

InChI Key

BBQBGDFXAHCMMI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02993791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.941

Distribution Coefficient, logD

3.925

Water Solubility, LogSw

-3.98

Polar Surface Area

61.763

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

5.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

Y010-0707 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 Y010-0707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0707?
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What is the minimum amount of Y010-0707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0707
  • 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 Y010-0707 available by request