Y031-2656 Screening compound: 3-(benzenesulfonyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)propanamide

Y031-2656 Screening compound: 3-(benzenesulfonyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)propanamide
Y031-2656 Screening compound: 3-(benzenesulfonyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2656
3-(benzenesulfonyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)propanamide

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

Y031-2656

Molecular Formula

C17H16N2O5S3 (C17 H16 N2 O5 S3)

Compound Name

3-(benzenesulfonyl)-N-(6-methanesulfonyl-1,3-benzothiazol-2-yl)propanamide

IUPAC name

3-(benzenesulfonyl)-N-(6-methanesulfonyl-13-benzothiazol-2-yl)propanamide

SMILES

CS(c(cc1)cc2c1nc(NC(CCS(c1ccccc1)(=O)=O)=O)s2)(=O)=O

InChI

InChI=1S/C17H16N2O5S3/c1-26(21,22)13-7-8-14-15(11-13)25-17(18-14)19-16(20)9-10-27(23,24)12-5-3-2-4-6-12/h2-8,11H,9-10H2,1H3,(H,18,19,20)

InChI Key

RPYBGVAFQKGJLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05923572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.530

Distribution Coefficient, logD

1.529

Water Solubility, LogSw

-2.54

Polar Surface Area

91.663

Acid Dissociation Constant (pKa)

9.87

Base Dissociation Constant (pKb)

-1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y031-2656 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

C-Met Library (15277 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-2656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2656?
Check Price and Availability of Y031-2656, 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 Y031-2656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2656
  • 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 Y031-2656 available by request