Y206-0296 Screening compound: [2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-methyl-1,3,4-thiadiazol-2-yl) sulfide

Y206-0296 Screening compound: [2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-methyl-1,3,4-thiadiazol-2-yl) sulfide
Y206-0296 Screening compound: [2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-methyl-1,3,4-thiadiazol-2-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y206-0296
[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-methyl-1,3,4-thiadiazol-2-yl) sulfide

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

Y206-0296

Molecular Formula

C14H11N3O2S3 (C14 H11 N3 O2 S3)

Compound Name

[2-(1,3-benzodioxol-5-yl)-1,3-thiazol-4-yl]methyl (5-methyl-1,3,4-thiadiazol-2-yl) sulfide

IUPAC name

2-({[2-(2H-13-benzodioxol-5-yl)-13-thiazol-4-yl]methyl}sulfanyl)-5-methyl-134-thiadiazole

SMILES

Cc1nnc(SCc2csc(-c(cc3)cc4c3OCO4)n2)s1

InChI

InChI=1S/C14H11N3O2S3/c1-8-16-17-14(22-8)21-6-10-5-20-13(15-10)9-2-3-11-12(4-9)19-7-18-11/h2-5H,6-7H2,1H3

InChI Key

GCUWVMKBTBZPFN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.850

Distribution Coefficient, logD

3.850

Water Solubility, LogSw

-3.99

Polar Surface Area

49.983

Acid Dissociation Constant (pKa)

27.58

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.43

Y206-0296 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y206-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y206-0296?
Check Price and Availability of Y206-0296, 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 Y206-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y206-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y206-0296
  • 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 Y206-0296 available by request