R091-0014 Screening compound: 4-(5-methyl-1,3-benzothiazol-2-yl)aniline

R091-0014 Screening compound: 4-(5-methyl-1,3-benzothiazol-2-yl)aniline
R091-0014 Screening compound: 4-(5-methyl-1,3-benzothiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound R091-0014
4-(5-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

R091-0014

Molecular Formula

C14H12N2S (C14 H12 N2 S)

Compound Name

4-(5-methyl-1,3-benzothiazol-2-yl)aniline

IUPAC name

4-(5-methyl-13-benzothiazol-2-yl)aniline

SMILES

Cc(cc1)cc2c1sc(-c(cc1)ccc1N)n2

InChI

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

InChI Key

VIMAXKCCOXWKIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02089378

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

3.526

Distribution Coefficient, logD

3.526

Water Solubility, LogSw

-3.67

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

R091-0014 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

Cardiovascular Library (22201 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 R091-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound R091-0014?
Check Price and Availability of R091-0014, 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 R091-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for R091-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for R091-0014
  • 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 R091-0014 available by request