4281-1758 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

4281-1758 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
4281-1758 Screening compound: 2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4281-1758
2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

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

4281-1758

Molecular Formula

C21H19N3O7S (C21 H19 N3 O7 S)

Compound Name

2-{2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]ethoxy}ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate

IUPAC name

2-{2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]ethoxy}ethyl 2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)acetate

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)OCCOCCNC(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C21H19N3O7S/c25-18(13-24-20(26)14-5-1-2-6-15(14)21(24)27)31-12-11-30-10-9-22-19-16-7-3-4-8-17(16)32(28,29)23-19/h1-8H,9-13H2,(H,22,23)

InChI Key

XKBBFPKRMLMFGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03044679

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.46

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.502

Distribution Coefficient, logD

0.502

Water Solubility, LogSw

-2.42

Polar Surface Area

110.257

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

4281-1758 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 4281-1758 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4281-1758?
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What is the minimum amount of 4281-1758 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4281-1758
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4281-1758
  • 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 4281-1758 available by request