Y031-6447 Screening compound: 4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzene-1-sulfonamide

Y031-6447 Screening compound: 4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzene-1-sulfonamide
Y031-6447 Screening compound: 4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6447
4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzene-1-sulfonamide

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

Y031-6447

Molecular Formula

C13H17N3O3S2 (C13 H17 N3 O3 S2)

Compound Name

4-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzene-1-sulfonamide

IUPAC name

4-methoxy-N-[5-(2-methylpropyl)-134-thiadiazol-2-yl]benzene-1-sulfonamide

SMILES

CC(C)Cc1nnc(NS(c(cc2)ccc2OC)(=O)=O)s1

InChI

InChI=1S/C13H17N3O3S2/c1-9(2)8-12-14-15-13(20-12)16-21(17,18)11-6-4-10(19-3)5-7-11/h4-7,9H,8H2,1-3H3,(H,15,16)

InChI Key

LZCBNYVJTNCPDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00865485

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

1.065

Water Solubility, LogSw

-3.51

Polar Surface Area

72.472

Acid Dissociation Constant (pKa)

5.35

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

Y031-6447 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

CNS MPO Library (28609 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-6447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6447?
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What is the minimum amount of Y031-6447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6447
  • 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 Y031-6447 available by request