Y030-9393 Screening compound: N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

Y030-9393 Screening compound: N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide
Y030-9393 Screening compound: N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9393
N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

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

Y030-9393

Molecular Formula

C11H13N3O2S2 (C11 H13 N3 O2 S2)

Compound Name

N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]methanesulfonamide

IUPAC name

N-[5-(2-phenylethyl)-134-thiadiazol-2-yl]methanesulfonamide

SMILES

CS(Nc1nnc(CCc2ccccc2)s1)(=O)=O

InChI

InChI=1S/C11H13N3O2S2/c1-18(15,16)14-11-13-12-10(17-11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,13,14)

InChI Key

WBASOOORRVOVBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05660942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.198

Distribution Coefficient, logD

-0.204

Water Solubility, LogSw

-2.64

Polar Surface Area

65.874

Acid Dissociation Constant (pKa)

5.00

Base Dissociation Constant (pKb)

-1.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y030-9393 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-9393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9393?
Check Price and Availability of Y030-9393, 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 Y030-9393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9393
  • 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 Y030-9393 available by request