4940-1443 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenyl-3-pyrrolidinecarboxylate

4940-1443 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenyl-3-pyrrolidinecarboxylate
4940-1443 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenyl-3-pyrrolidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4940-1443
2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenyl-3-pyrrolidinecarboxylate

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

4940-1443

Molecular Formula

C22H23N3O6S (C22 H23 N3 O6 S)

Compound Name

2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenyl-3-pyrrolidinecarboxylate

IUPAC name

2-{2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethoxy}ethyl 5-oxo-1-phenylpyrrolidine-3-carboxylate

SMILES

O=C(C(CC1=O)CN1c1ccccc1)OCCOCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C22H23N3O6S/c26-20-14-16(15-25(20)17-6-2-1-3-7-17)22(27)31-13-12-30-11-10-23-21-18-8-4-5-9-19(18)32(28,29)24-21/h1-9,16H,10-15H2,(H,23,24)/t16-/m0/s1

InChI Key

CYNCXOMECQQINJ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02940408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.928

Distribution Coefficient, logD

0.928

Water Solubility, LogSw

-2.40

Polar Surface Area

98.077

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

4940-1443 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4940-1443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4940-1443?
Check Price and Availability of 4940-1443, 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 4940-1443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4940-1443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4940-1443
  • 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 4940-1443 available by request