K780-0111 Screening compound: 6-ethyl-1,3-benzothiazol-2-amine

K780-0111 Screening compound: 6-ethyl-1,3-benzothiazol-2-amine
K780-0111 Screening compound: 6-ethyl-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K780-0111
6-ethyl-1,3-benzothiazol-2-amine

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

K780-0111

Molecular Formula

C9H10N2S (C9 H10 N2 S)

Compound Name

6-ethyl-1,3-benzothiazol-2-amine

IUPAC name

6-ethyl-13-benzothiazol-2-amine

SMILES

CCc(cc1)cc2c1nc(N)s2

InChI

InChI=1S/C9H10N2S/c1-2-6-3-4-7-8(5-6)12-9(10)11-7/h3-5H,2H2,1H3,(H2,10,11)

InChI Key

XSDOQGXRBLPHHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02663855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

178.26

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

2.840

Distribution Coefficient, logD

2.839

Water Solubility, LogSw

-2.94

Polar Surface Area

30.757

Acid Dissociation Constant (pKa)

21.18

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

K780-0111 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Fragments Library (11262 compounds)

Human Receptors Annotated Library (5376 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with K780-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K780-0111?
Check Price and Availability of K780-0111, 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 K780-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K780-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K780-0111
  • 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 K780-0111 available by request