1365-0021 Screening compound: 2,6-dimethyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium

1365-0021 Screening compound: 2,6-dimethyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
1365-0021 Screening compound: 2,6-dimethyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 1365-0021
2,6-dimethyl-3-(3-sulfonatopropyl)-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

1365-0021

Molecular Formula

C12H15NO3S2 (C12 H15 NO3 S2)

Compound Name

2,6-dimethyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium

IUPAC name

26-dimethyl-3-(3-sulfonatopropyl)-13-benzothiazol-3-ium

SMILES

Cc1[n+](CCCS([O-])(=O)=O)c(ccc(C)c2)c2s1

InChI

InChI=1S/C12H15NO3S2/c1-9-4-5-11-12(8-9)17-10(2)13(11)6-3-7-18(14,15)16/h4-5,8H,3,6-7H2,1-2H3

InChI Key

BSYDQFCXERHXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00541274

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.39

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.215

Distribution Coefficient, logD

1.215

Water Solubility, LogSw

-2.15

Polar Surface Area

44.807

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1365-0021 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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 1365-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1365-0021?
Check Price and Availability of 1365-0021, 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 1365-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1365-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1365-0021
  • 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 1365-0021 available by request