5984-0394 Screening compound: 2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium

5984-0394 Screening compound: 2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium
5984-0394 Screening compound: 2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 5984-0394
2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-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

5984-0394

Molecular Formula

C18H16NO3S (C18 H16 NO3 S)

Compound Name

2-[(1E)-2-(2H-1,3-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-1,3-benzothiazol-3-ium

IUPAC name

2-[(1E)-2-(2H-13-benzodioxol-5-yl)ethenyl]-5-methoxy-3-methyl-13-benzothiazol-3-ium

SMILES

C[n+]1c(/C=C/c(cc2)cc3c2OCO3)sc(cc2)c1cc2OC

InChI

InChI=1S/C18H16NO3S/c1-19-14-10-13(20-2)5-7-17(14)23-18(19)8-4-12-3-6-15-16(9-12)22-11-21-15/h3-10H,11H2,1-2H3/q+1

InChI Key

LTTQZHNMLVEYBB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

326.4

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.52

Polar Surface Area

26.478

Acid Dissociation Constant (pKa)

28.61

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5984-0394 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5984-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5984-0394?
Check Price and Availability of 5984-0394, 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 5984-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5984-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5984-0394
  • 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 5984-0394 available by request