8009-2946 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 2-methylpropanoate

8009-2946 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 2-methylpropanoate
8009-2946 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 2-methylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2946
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 2-methylpropanoate

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

8009-2946

Molecular Formula

C13H16N2O4S (C13 H16 N2 O4 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethyl 2-methylpropanoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethyl 2-methylpropanoate

SMILES

CC(C)C(OCCNC(c1c2cccc1)=NS2(=O)=O)=O

InChI

InChI=1S/C13H16N2O4S/c1-9(2)13(16)19-8-7-14-12-10-5-3-4-6-11(10)20(17,18)15-12/h3-6,9H,7-8H2,1-2H3,(H,14,15)

InChI Key

MDYNKRGMMNIGCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01572872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.584

Distribution Coefficient, logD

1.584

Water Solubility, LogSw

-2.58

Polar Surface Area

73.327

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

8009-2946 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)

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

References: we are preparing a list of scientific research reports with 8009-2946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2946?
Check Price and Availability of 8009-2946, 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 8009-2946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2946
  • 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 8009-2946 available by request