C066-5269 Screening compound: 4-(1,3-benzothiazol-2-yl)aniline

C066-5269 Screening compound: 4-(1,3-benzothiazol-2-yl)aniline
C066-5269 Screening compound: 4-(1,3-benzothiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-5269
4-(1,3-benzothiazol-2-yl)aniline

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

C066-5269

Molecular Formula

C13H10N2S (C13 H10 N2 S)

Compound Name

4-(1,3-benzothiazol-2-yl)aniline

IUPAC name

4-(13-benzothiazol-2-yl)aniline

SMILES

Nc(cc1)ccc1-c1nc(cccc2)c2s1

InChI

InChI=1S/C13H10N2S/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H,14H2

InChI Key

WKRCOZSCENDENK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00182896

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

226.3

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.14

Polar Surface Area

30.493

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

C066-5269 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Cardiovascular Library (22201 compounds)

Human Kinases Annotated Library (2415 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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:
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C066-5269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-5269?
Check Price and Availability of C066-5269, 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 C066-5269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-5269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-5269
  • 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 C066-5269 available by request