2166-0969 Screening compound: 4-(6-methyl-1,3-benzothiazol-2-yl)aniline

2166-0969 Screening compound: 4-(6-methyl-1,3-benzothiazol-2-yl)aniline
2166-0969 Screening compound: 4-(6-methyl-1,3-benzothiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 2166-0969
4-(6-methyl-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

2166-0969

Molecular Formula

C14H12N2S (C14 H12 N2 S)

Compound Name

4-(6-methyl-1,3-benzothiazol-2-yl)aniline

IUPAC name

4-(6-methyl-13-benzothiazol-2-yl)aniline

SMILES

Cc(cc1)cc2c1nc(-c(cc1)ccc1N)s2

InChI

InChI=1S/C14H12N2S/c1-9-2-7-12-13(8-9)17-14(16-12)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3

InChI Key

XRTJYEIMLZALBD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00005780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

240.33

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

3.510

Distribution Coefficient, logD

3.510

Water Solubility, LogSw

-3.66

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

7.10

2166-0969 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Receptors Annotated Library (5376 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2166-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2166-0969?
Check Price and Availability of 2166-0969, 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 2166-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2166-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2166-0969
  • 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 2166-0969 available by request