Y031-0031 Screening compound: N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide

Y031-0031 Screening compound: N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide
Y031-0031 Screening compound: N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0031
N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide

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

Y031-0031

Molecular Formula

C15H10ClFN2OS (C15 H10 ClFN2 OS)

Compound Name

N-(1,3-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide

IUPAC name

N-(13-benzothiazol-2-yl)-2-(2-chloro-6-fluorophenyl)acetamide

SMILES

O=C(Cc(c(F)ccc1)c1Cl)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C15H10ClFN2OS/c16-10-4-3-5-11(17)9(10)8-14(20)19-15-18-12-6-1-2-7-13(12)21-15/h1-7H,8H2,(H,18,19,20)

InChI Key

WRYJRNFOFJKHMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04526937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.77

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.487

Distribution Coefficient, logD

4.487

Water Solubility, LogSw

-4.54

Polar Surface Area

32.878

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

Y031-0031 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-infective Library (19449 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0031?
Check Price and Availability of Y031-0031, 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 Y031-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0031
  • 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 Y031-0031 available by request