Y031-2654 Screening compound: 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide

Y031-2654 Screening compound: 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
Y031-2654 Screening compound: 3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2654
3-(benzenesulfonyl)-N-(6-methoxy-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

Y031-2654

Molecular Formula

C17H16N2O4S2 (C17 H16 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1nc(NC(CCS(c1ccccc1)(=O)=O)=O)s2

InChI

InChI=1S/C17H16N2O4S2/c1-23-12-7-8-14-15(11-12)24-17(18-14)19-16(20)9-10-25(21,22)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3,(H,18,19,20)

InChI Key

COTXUXFIDSEDNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05923282

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.902

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.64

Polar Surface Area

69.458

Acid Dissociation Constant (pKa)

10.68

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

Y031-2654 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

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

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-2654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2654?
Check Price and Availability of Y031-2654, 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 Y031-2654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2654
  • 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 Y031-2654 available by request