Y040-9081 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid

Y040-9081 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid
Y040-9081 Screening compound: 2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9081
2-(3-oxo-2,3-dihydro-1,2-benzothiazol-2-yl)acetic 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

Y040-9081

Molecular Formula

C9H7NO3S (C9 H7 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

OC(CN1Sc(cccc2)c2C1=O)=O

InChI

InChI=1S/C9H7NO3S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)14-10/h1-4H,5H2,(H,11,12)

InChI Key

JNNXIBWXEGAIMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11868496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

209.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

-0.047

Distribution Coefficient, logD

-4.384

Water Solubility, LogSw

-2.28

Polar Surface Area

46.283

Acid Dissociation Constant (pKa)

3.06

Base Dissociation Constant (pKb)

-5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

Y040-9081 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Fragments Library (11262 compounds)

STING Agonist Library (5895 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Cancer
  • Immune system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic
  • Epigenetic
Structure:
  • Fragments
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y040-9081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9081?
Check Price and Availability of Y040-9081, 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 Y040-9081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9081
  • 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 Y040-9081 available by request