0118-0052 Screening compound: 5-methoxy-2-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium

0118-0052 Screening compound: 5-methoxy-2-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium
0118-0052 Screening compound: 5-methoxy-2-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0118-0052
5-methoxy-2-methyl-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

0118-0052

Molecular Formula

C12H15NO4S2 (C12 H15 NO4 S2)

Compound Name

5-methoxy-2-methyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-3-ium

IUPAC name

5-methoxy-2-methyl-3-(3-sulfonatopropyl)-13-benzothiazol-3-ium

SMILES

Cc1[n+](CCCS([O-])(=O)=O)c(cc(cc2)OC)c2s1

InChI

InChI=1S/C12H15NO4S2/c1-9-13(6-3-7-19(14,15)16)11-8-10(17-2)4-5-12(11)18-9/h4-5,8H,3,6-7H2,1-2H3

InChI Key

PPFNXRJKTUSEKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00143464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.810

Distribution Coefficient, logD

0.810

Water Solubility, LogSw

-2.04

Polar Surface Area

52.351

Acid Dissociation Constant (pKa)

20.86

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

0118-0052 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 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 0118-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0118-0052?
Check Price and Availability of 0118-0052, 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 0118-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0118-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0118-0052
  • 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 0118-0052 available by request