Y031-0498 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

Y031-0498 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Y031-0498 Screening compound: 2-(3,4-dimethoxyphenyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0498
2-(3,4-dimethoxyphenyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-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

Y031-0498

Molecular Formula

C15H19N3O4S2 (C15 H19 N3 O4 S2)

Compound Name

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

IUPAC name

2-(34-dimethoxyphenyl)-N-{5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}acetamide

SMILES

COCCSc1nnc(NC(Cc(cc2)cc(OC)c2OC)=O)s1

InChI

InChI=1S/C15H19N3O4S2/c1-20-6-7-23-15-18-17-14(24-15)16-13(19)9-10-4-5-11(21-2)12(8-10)22-3/h4-5,8H,6-7,9H2,1-3H3,(H,16,17,19)

InChI Key

MSBPGCLLNBNKLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882685

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

2.045

Water Solubility, LogSw

-2.95

Polar Surface Area

69.625

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

-4.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-0498 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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
  • Pool
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0498?
Check Price and Availability of Y031-0498, 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 Y031-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0498
  • 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 Y031-0498 available by request