D139-0280 Screening compound: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

D139-0280 Screening compound: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(pyridin-2-yl)acetamide
D139-0280 Screening compound: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(pyridin-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D139-0280
2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(pyridin-2-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

D139-0280

Molecular Formula

C10H10N4OS3 (C10 H10 N4 OS3)

Compound Name

2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

IUPAC name

2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}-N-(pyridin-2-yl)acetamide

SMILES

CSc1nsc(SCC(Nc2ncccc2)=O)n1

InChI

InChI=1S/C10H10N4OS3/c1-16-9-13-10(18-14-9)17-6-8(15)12-7-4-2-3-5-11-7/h2-5H,6H2,1H3,(H,11,12,15)

InChI Key

WPAAMWQTTRDUKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02873989

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

2.758

Water Solubility, LogSw

-3.22

Polar Surface Area

51.632

Acid Dissociation Constant (pKa)

10.89

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D139-0280 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D139-0280 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D139-0280?
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What is the minimum amount of D139-0280 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D139-0280
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D139-0280
  • 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 D139-0280 available by request