5240-0032 Screening compound: 3-[(4-chlorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione

5240-0032 Screening compound: 3-[(4-chlorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione
5240-0032 Screening compound: 3-[(4-chlorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)pyrrolidine-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 5240-0032
3-[(4-chlorophenyl)methyl]-1-(6-methoxy-1,3-benzothiazol-2-yl)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

5240-0032

Molecular Formula

C19H15ClN2O3S (C19 H15 ClN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)cc2c1nc(N(C(CC1Cc(cc3)ccc3Cl)=O)C1=O)s2

InChI

InChI=1S/C19H15ClN2O3S/c1-25-14-6-7-15-16(10-14)26-19(21-15)22-17(23)9-12(18(22)24)8-11-2-4-13(20)5-3-11/h2-7,10,12H,8-9H2,1H3/t12-/m0/s1

InChI Key

CUBRLSCXYNJYQM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03722759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.86

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

4.277

Distribution Coefficient, logD

4.277

Water Solubility, LogSw

-4.62

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

21.10

5240-0032 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5240-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5240-0032?
Check Price and Availability of 5240-0032, 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 5240-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5240-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5240-0032
  • 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 5240-0032 available by request