D034-0238 Screening compound: ethyl 1-[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]-4-piperidinecarboxylate

D034-0238 Screening compound: ethyl 1-[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]-4-piperidinecarboxylate
D034-0238 Screening compound: ethyl 1-[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]-4-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0238
ethyl 1-[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]-4-piperidinecarboxylate

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

D034-0238

Molecular Formula

C17H20N2O6S (C17 H20 N2 O6 S)

Compound Name

ethyl 1-[2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetyl]-4-piperidinecarboxylate

IUPAC name

ethyl 1-[2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetyl]piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(CN(C(c1c2cccc1)=O)S2(=O)=O)=O)=O

InChI

InChI=1S/C17H20N2O6S/c1-2-25-17(22)12-7-9-18(10-8-12)15(20)11-19-16(21)13-5-3-4-6-14(13)26(19,23)24/h3-6,12H,2,7-11H2,1H3

InChI Key

YMNLVERVXCHSCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02724327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.42

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.347

Distribution Coefficient, logD

0.347

Water Solubility, LogSw

-2.43

Polar Surface Area

82.330

Acid Dissociation Constant (pKa)

22.53

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

D034-0238 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D034-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0238?
Check Price and Availability of D034-0238, 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 D034-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0238
  • 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 D034-0238 available by request