D139-0242 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide

D139-0242 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide
D139-0242 Screening compound: N-(2,5-dimethoxyphenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D139-0242
N-(2,5-dimethoxyphenyl)-2-{[3-(methylsulfanyl)-1,2,4-thiadiazol-5-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

D139-0242

Molecular Formula

C13H15N3O3S3 (C13 H15 N3 O3 S3)

Compound Name

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

IUPAC name

N-(25-dimethoxyphenyl)-2-{[3-(methylsulfanyl)-124-thiadiazol-5-yl]sulfanyl}acetamide

SMILES

COc(cc1)cc(NC(CSc2nc(SC)ns2)=O)c1OC

InChI

InChI=1S/C13H15N3O3S3/c1-18-8-4-5-10(19-2)9(6-8)14-11(17)7-21-13-15-12(20-3)16-22-13/h4-6H,7H2,1-3H3,(H,14,17)

InChI Key

VQKDKAPQMRLTGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03770634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.111

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.45

Polar Surface Area

56.494

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D139-0242 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D139-0242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D139-0242?
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What is the minimum amount of D139-0242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D139-0242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D139-0242
  • 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 D139-0242 available by request