Y206-0455 Screening compound: 2-[(3-methoxybenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole

Y206-0455 Screening compound: 2-[(3-methoxybenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole
Y206-0455 Screening compound: 2-[(3-methoxybenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-0455
2-[(3-methoxybenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole

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

Y206-0455

Molecular Formula

C11H12N2OS2 (C11 H12 N2 OS2)

Compound Name

2-[(3-methoxybenzyl)sulfanyl]-5-methyl-1,3,4-thiadiazole

IUPAC name

2-{[(3-methoxyphenyl)methyl]sulfanyl}-5-methyl-134-thiadiazole

SMILES

Cc1nnc(SCc2cc(OC)ccc2)s1

InChI

InChI=1S/C11H12N2OS2/c1-8-12-13-11(16-8)15-7-9-4-3-5-10(6-9)14-2/h3-6H,7H2,1-2H3

InChI Key

QJHLFCPITWIETQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

252.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.734

Distribution Coefficient, logD

2.734

Water Solubility, LogSw

-2.87

Polar Surface Area

30.182

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.27

Y206-0455 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y206-0455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-0455?
Check Price and Availability of Y206-0455, 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 Y206-0455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-0455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-0455
  • 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 Y206-0455 available by request