Y030-6945 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-phenylmethanesulfonamide

Y030-6945 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-phenylmethanesulfonamide
Y030-6945 Screening compound: N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-phenylmethanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-6945
N-{5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-1-phenylmethanesulfonamide

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

Y030-6945

Molecular Formula

C17H17N3O3S2 (C17 H17 N3 O3 S2)

Compound Name

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

IUPAC name

N-{5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}-1-phenylmethanesulfonamide

SMILES

COc1ccc(Cc2nnc(NS(Cc3ccccc3)(=O)=O)s2)cc1

InChI

InChI=1S/C17H17N3O3S2/c1-23-15-9-7-13(8-10-15)11-16-18-19-17(24-16)20-25(21,22)12-14-5-3-2-4-6-14/h2-10H,11-12H2,1H3,(H,19,20)

InChI Key

VZDYCQYNASRRNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.277

Distribution Coefficient, logD

0.760

Water Solubility, LogSw

-3.54

Polar Surface Area

73.828

Acid Dissociation Constant (pKa)

4.88

Base Dissociation Constant (pKb)

-2.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y030-6945 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Protein Arginine Methyltransferases Library (27925 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
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y030-6945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-6945?
Check Price and Availability of Y030-6945, 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 Y030-6945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-6945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-6945
  • 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 Y030-6945 available by request