Y030-6901 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide

Y030-6901 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide
Y030-6901 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6901
N-{5-[(4-methoxyphenyl)methyl]-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

Y030-6901

Molecular Formula

C16H15N3O3S2 (C16 H15 N3 O3 S2)

Compound Name

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

IUPAC name

N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}benzenesulfonamide

SMILES

COc1ccc(Cc2nnc(NS(c3ccccc3)(=O)=O)s2)cc1

InChI

InChI=1S/C16H15N3O3S2/c1-22-13-9-7-12(8-10-13)11-15-17-18-16(23-15)19-24(20,21)14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,18,19)

InChI Key

QCXWBMZVLJCKHF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.45

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

3.107

Distribution Coefficient, logD

0.695

Water Solubility, LogSw

-3.46

Polar Surface Area

72.200

Acid Dissociation Constant (pKa)

4.99

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y030-6901 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

PI3K-Targeted Library (17255 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y030-6901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6901?
Check Price and Availability of Y030-6901, 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 Y030-6901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6901
  • 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 Y030-6901 available by request