D034-0276 Screening compound: N~1~-(4-butylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D034-0276 Screening compound: N~1~-(4-butylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D034-0276 Screening compound: N~1~-(4-butylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0276
N~1~-(4-butylphenyl)-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

D034-0276

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

N~1~-(4-butylphenyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

IUPAC name

N-(4-butylphenyl)-2-(113-trioxo-23-dihydro-1lambda62-benzothiazol-2-yl)acetamide

SMILES

CCCCc(cc1)ccc1NC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C19H20N2O4S/c1-2-3-6-14-9-11-15(12-10-14)20-18(22)13-21-19(23)16-7-4-5-8-17(16)26(21,24)25/h4-5,7-12H,2-3,6,13H2,1H3,(H,20,22)

InChI Key

ZWZJQYMSFMILRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04381319

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.454

Distribution Coefficient, logD

3.454

Water Solubility, LogSw

-3.85

Polar Surface Area

68.333

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D034-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0276?
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What is the minimum amount of D034-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0276
  • 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 D034-0276 available by request