5941-1339 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylanilino]ethyl 4-(piperidinosulfonyl)benzoate

5941-1339 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylanilino]ethyl 4-(piperidinosulfonyl)benzoate
5941-1339 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylanilino]ethyl 4-(piperidinosulfonyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5941-1339
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylanilino]ethyl 4-(piperidinosulfonyl)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

5941-1339

Molecular Formula

C28H29N3O6S2 (C28 H29 N3 O6 S2)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-4-methylanilino]ethyl 4-(piperidinosulfonyl)benzoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)(4-methylphenyl)amino]ethyl 4-(piperidine-1-sulfonyl)benzoate

SMILES

Cc(cc1)ccc1N(CCOC(c(cc1)ccc1S(N1CCCCC1)(=O)=O)=O)C(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C28H29N3O6S2/c1-21-9-13-23(14-10-21)31(27-25-7-3-4-8-26(25)38(33,34)29-27)19-20-37-28(32)22-11-15-24(16-12-22)39(35,36)30-17-5-2-6-18-30/h3-4,7-16H,2,5-6,17-20H2,1H3

InChI Key

NZSMBGQVQITNBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03864322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.69

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.924

Distribution Coefficient, logD

4.924

Water Solubility, LogSw

-4.51

Polar Surface Area

94.570

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

5941-1339 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5941-1339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5941-1339?
Check Price and Availability of 5941-1339, 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 5941-1339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5941-1339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5941-1339
  • 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 5941-1339 available by request