Y031-1802 Screening compound: 2-(benzenesulfonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide

Y031-1802 Screening compound: 2-(benzenesulfonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Y031-1802 Screening compound: 2-(benzenesulfonyl)-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1802
2-(benzenesulfonyl)-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

Y031-1802

Molecular Formula

C13H15N3O4S3 (C13 H15 N3 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

COCCSc1nnc(NC(CS(c2ccccc2)(=O)=O)=O)s1

InChI

InChI=1S/C13H15N3O4S3/c1-20-7-8-21-13-16-15-12(22-13)14-11(17)9-23(18,19)10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15,17)

InChI Key

RAMKXBDNCQKOJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06752109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.546

Distribution Coefficient, logD

1.540

Water Solubility, LogSw

-2.41

Polar Surface Area

83.401

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y031-1802 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y031-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1802?
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What is the minimum amount of Y031-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1802
  • 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 Y031-1802 available by request