Y031-9547 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dichloroacetamide

Y031-9547 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dichloroacetamide
Y031-9547 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dichloroacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-9547
N-(1,3-benzothiazol-2-yl)-2,2-dichloroacetamide

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

Y031-9547

Molecular Formula

C9H6Cl2N2OS (C9 H6 Cl2 N2 OS)

Compound Name

N-(1,3-benzothiazol-2-yl)-2,2-dichloroacetamide

IUPAC name

N-(13-benzothiazol-2-yl)-22-dichloroacetamide

SMILES

O=C(C(Cl)Cl)Nc1nc(cccc2)c2s1

InChI

InChI=1S/C9H6Cl2N2OS/c10-7(11)8(14)13-9-12-5-3-1-2-4-6(5)15-9/h1-4,7H,(H,12,13,14)

InChI Key

KMWSSVLNZPNIGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00595444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.13

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.395

Distribution Coefficient, logD

3.345

Water Solubility, LogSw

-3.75

Polar Surface Area

33.363

Acid Dissociation Constant (pKa)

8.32

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

Y031-9547 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-9547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-9547?
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What is the minimum amount of Y031-9547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-9547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-9547
  • 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 Y031-9547 available by request