3535-0032 Screening compound: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

3535-0032 Screening compound: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione
3535-0032 Screening compound: 3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3535-0032
3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethoxyphenyl)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

3535-0032

Molecular Formula

C21H20N2O4S2 (C21 H20 N2 O4 S2)

Compound Name

3-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]-1-(4-ethoxyphenyl)pyrrolidine-2,5-dione

IUPAC name

3-[(6-ethoxy-13-benzothiazol-2-yl)sulfanyl]-1-(4-ethoxyphenyl)pyrrolidine-25-dione

SMILES

CCOc(cc1)ccc1N(C(CC1Sc2nc(ccc(OCC)c3)c3s2)=O)C1=O

InChI

InChI=1S/C21H20N2O4S2/c1-3-26-14-7-5-13(6-8-14)23-19(24)12-18(20(23)25)29-21-22-16-10-9-15(27-4-2)11-17(16)28-21/h5-11,18H,3-4,12H2,1-2H3/t18-/m0/s1

InChI Key

SDFIPMIGUKEEOE-SFHVURJKSA-N

MDL Number (MFCD)

MFCD01948379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.252

Distribution Coefficient, logD

4.252

Water Solubility, LogSw

-4.29

Polar Surface Area

52.486

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

3535-0032 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3535-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3535-0032?
Check Price and Availability of 3535-0032, 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 3535-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3535-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3535-0032
  • 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 3535-0032 available by request