D034-0139 Screening compound: N~1~-(2-methoxyethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide

D034-0139 Screening compound: N~1~-(2-methoxyethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide
D034-0139 Screening compound: N~1~-(2-methoxyethyl)-2-(1,1,3-trioxo-1,3-dihydro-2H-1,2-benzisothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D034-0139
N~1~-(2-methoxyethyl)-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

D034-0139

Molecular Formula

C12H14N2O5S (C12 H14 N2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COCCNC(CN(C(c1c2cccc1)=O)S2(=O)=O)=O

InChI

InChI=1S/C12H14N2O5S/c1-19-7-6-13-11(15)8-14-12(16)9-4-2-3-5-10(9)20(14,17)18/h2-5H,6-8H2,1H3,(H,13,15)

InChI Key

MAEIXDKFPYLRGZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.603

Distribution Coefficient, logD

-0.603

Water Solubility, LogSw

-2.32

Polar Surface Area

78.111

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D034-0139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D034-0139?
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What is the minimum amount of D034-0139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D034-0139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D034-0139
  • 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 D034-0139 available by request