0761-0010 Screening compound: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium

0761-0010 Screening compound: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium
0761-0010 Screening compound: 3-ethyl-2-methyl-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0761-0010
3-ethyl-2-methyl-1,3-benzothiazol-3-ium

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

0761-0010

Molecular Formula

C10H12NS (C10 H12 NS)

Compound Name

3-ethyl-2-methyl-1,3-benzothiazol-3-ium

IUPAC name

3-ethyl-2-methyl-13-benzothiazol-3-ium

SMILES

CC[n+]1c(C)sc2c1cccc2

InChI

InChI=1S/C10H12NS/c1-3-11-8(2)12-10-7-5-4-6-9(10)11/h4-7H,3H2,1-2H3/q+1

InChI Key

OGRZMXBJGTZUGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00603525

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

178.28

Hydrogen Bond Acceptors Count

0.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.224

Distribution Coefficient, logD

3.224

Water Solubility, LogSw

-3.10

Polar Surface Area

1.494

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

0761-0010 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 0761-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0761-0010?
Check Price and Availability of 0761-0010, 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 0761-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0761-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0761-0010
  • 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 0761-0010 available by request