D139-0286 Screening compound: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

D139-0286 Screening compound: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one
D139-0286 Screening compound: 2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D139-0286
2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-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

D139-0286

Molecular Formula

C9H13N3O2S3 (C9 H13 N3 O2 S3)

Compound Name

2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}-1-(morpholin-4-yl)ethan-1-one

SMILES

CSc1nsc(SCC(N2CCOCC2)=O)n1

InChI

InChI=1S/C9H13N3O2S3/c1-15-8-10-9(17-11-8)16-6-7(13)12-2-4-14-5-3-12/h2-6H2,1H3

InChI Key

HROMBTOSYFJDHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06590933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.531

Distribution Coefficient, logD

1.531

Water Solubility, LogSw

-1.76

Polar Surface Area

43.169

Acid Dissociation Constant (pKa)

20.23

Base Dissociation Constant (pKb)

-0.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

D139-0286 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D139-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D139-0286?
Check Price and Availability of D139-0286, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D139-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D139-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D139-0286
  • 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 D139-0286 available by request