D034-0203 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D034-0203 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D034-0203 Screening compound: N~1~-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0203
N~1~-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

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

D034-0203

Molecular Formula

C16H12N2O6S (C16 H12 N2 O6 S)

Compound Name

N~1~-(1,3-benzodioxol-5-yl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)S2(=O)=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C16H12N2O6S/c19-15(17-10-5-6-12-13(7-10)24-9-23-12)8-18-16(20)11-3-1-2-4-14(11)25(18,21)22/h1-7H,8-9H2,(H,17,19)

InChI Key

MQYCLVOWRZKFTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04022856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.318

Distribution Coefficient, logD

1.318

Water Solubility, LogSw

-2.59

Polar Surface Area

85.449

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

-0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D034-0203 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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 D034-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0203?
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What is the minimum amount of D034-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0203
  • 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 D034-0203 available by request