5135-0019 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

5135-0019 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione
5135-0019 Screening compound: 1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5135-0019
1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

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

5135-0019

Molecular Formula

C20H18N2O3S (C20 H18 N2 O3 S)

Compound Name

1-(6-methoxy-1,3-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-2,5-dione

IUPAC name

1-(6-methoxy-13-benzothiazol-2-yl)-3-[(4-methylphenyl)methyl]pyrrolidine-25-dione

SMILES

Cc1ccc(CC(CC(N2c3nc(ccc(OC)c4)c4s3)=O)C2=O)cc1

InChI

InChI=1S/C20H18N2O3S/c1-12-3-5-13(6-4-12)9-14-10-18(23)22(19(14)24)20-21-16-8-7-15(25-2)11-17(16)26-20/h3-8,11,14H,9-10H2,1-2H3/t14-/m1/s1

InChI Key

FESAOTZXOLSDPA-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03854531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

4.106

Water Solubility, LogSw

-4.28

Polar Surface Area

46.237

Acid Dissociation Constant (pKa)

18.03

Base Dissociation Constant (pKb)

-5.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5135-0019 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5135-0019 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5135-0019?
Check Price and Availability of 5135-0019, 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 5135-0019 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5135-0019
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5135-0019
  • 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 5135-0019 available by request