4940-1447 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl benzoate

4940-1447 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl benzoate
4940-1447 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4940-1447
2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl benzoate

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

4940-1447

Molecular Formula

C18H18N2O5S (C18 H18 N2 O5 S)

Compound Name

2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl benzoate

IUPAC name

2-{2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethoxy}ethyl benzoate

SMILES

O=C(c1ccccc1)OCCOCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C18H18N2O5S/c21-18(14-6-2-1-3-7-14)25-13-12-24-11-10-19-17-15-8-4-5-9-16(15)26(22,23)20-17/h1-9H,10-13H2,(H,19,20)

InChI Key

PVMPJPHIMGLJOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01230544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.988

Distribution Coefficient, logD

1.988

Water Solubility, LogSw

-2.85

Polar Surface Area

81.327

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4940-1447 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4940-1447 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4940-1447?
Check Price and Availability of 4940-1447, 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 4940-1447 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4940-1447
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4940-1447
  • 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 4940-1447 available by request