1822-0789 Screening compound: 6-methanesulfonyl-1,3-benzothiazol-2-amine

1822-0789 Screening compound: 6-methanesulfonyl-1,3-benzothiazol-2-amine
1822-0789 Screening compound: 6-methanesulfonyl-1,3-benzothiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1822-0789
6-methanesulfonyl-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

1822-0789

Molecular Formula

C8H8N2O2S2 (C8 H8 N2 O2 S2)

Compound Name

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

IUPAC name

6-methanesulfonyl-13-benzothiazol-2-amine

SMILES

CS(c(cc1)cc2c1nc(N)s2)(=O)=O

InChI

InChI=1S/C8H8N2O2S2/c1-14(11,12)5-2-3-6-7(4-5)13-8(9)10-6/h2-4H,1H3,(H2,9,10)

InChI Key

ZYHNHJAMVNINSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00179133

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

228.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.664

Distribution Coefficient, logD

0.663

Water Solubility, LogSw

-2.16

Polar Surface Area

60.506

Acid Dissociation Constant (pKa)

20.51

Base Dissociation Constant (pKb)

3.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1822-0789 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Fragments
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1822-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1822-0789?
Check Price and Availability of 1822-0789, 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 1822-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1822-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1822-0789
  • 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 1822-0789 available by request