Y041-4798 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-3-phenylpropanoic acid

Y041-4798 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-3-phenylpropanoic acid
Y041-4798 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4798
2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-3-phenylpropanoic acid

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

Y041-4798

Molecular Formula

C16H13NO3S (C16 H13 NO3 S)

Compound Name

2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)-3-phenylpropanoic acid

IUPAC name

(2S)-2-(3-oxo-23-dihydro-12-benzothiazol-2-yl)-3-phenylpropanoic acid

SMILES

OC([C@H](Cc1ccccc1)N1Sc(cccc2)c2C1=O)=O

InChI

InChI=1S/C16H13NO3S/c18-15-12-8-4-5-9-14(12)21-17(15)13(16(19)20)10-11-6-2-1-3-7-11/h1-9,13H,10H2,(H,19,20)/t13-/m0/s1

InChI Key

OEVDEDUEMHVAMJ-ZDUSSCGKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.758

Distribution Coefficient, logD

-1.284

Water Solubility, LogSw

-3.35

Polar Surface Area

44.521

Acid Dissociation Constant (pKa)

3.36

Base Dissociation Constant (pKb)

-5.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.50

Y041-4798 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Aging Library (44940 compounds)

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

Cardiovascular Library (22201 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y041-4798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4798?
Check Price and Availability of Y041-4798, 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 Y041-4798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4798
  • 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 Y041-4798 available by request