6253-0559 Screening compound: 5-hydroxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium

6253-0559 Screening compound: 5-hydroxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium
6253-0559 Screening compound: 5-hydroxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 6253-0559
5-hydroxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-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

6253-0559

Molecular Formula

C17H16NO2S (C17 H16 NO2 S)

Compound Name

5-hydroxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-1,3-benzothiazol-3-ium

IUPAC name

5-hydroxy-2-[(1E)-2-(4-methoxyphenyl)ethenyl]-3-methyl-13-benzothiazol-3-ium

SMILES

C[n+]1c(/C=C/c(cc2)ccc2OC)sc(cc2)c1cc2O

InChI

InChI=1S/C17H15NO2S/c1-18-15-11-13(19)6-9-16(15)21-17(18)10-5-12-3-7-14(20-2)8-4-12/h3-11H,1-2H3/p+1/b10-5+

InChI Key

NZCNGCGMJZPIIT-BJMVGYQFSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

298.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.993

Distribution Coefficient, logD

3.992

Water Solubility, LogSw

-4.21

Polar Surface Area

26.979

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

6253-0559 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6253-0559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6253-0559?
Check Price and Availability of 6253-0559, 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 6253-0559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6253-0559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6253-0559
  • 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 6253-0559 available by request