Y031-0397 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide

Y031-0397 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide
Y031-0397 Screening compound: N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0397
N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide

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

Y031-0397

Molecular Formula

C11H13N3O3S3 (C11 H13 N3 O3 S3)

Compound Name

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

IUPAC name

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

SMILES

COCCSc1nnc(NS(c2ccccc2)(=O)=O)s1

InChI

InChI=1S/C11H13N3O3S3/c1-17-7-8-18-11-13-12-10(19-11)14-20(15,16)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,12,14)

InChI Key

ZKIPHNSKASIMLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05882699

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.037

Distribution Coefficient, logD

0.330

Water Solubility, LogSw

-2.77

Polar Surface Area

72.136

Acid Dissociation Constant (pKa)

5.70

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y031-0397 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with Y031-0397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0397?
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What is the minimum amount of Y031-0397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0397
  • 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 Y031-0397 available by request