8005-9565 Screening compound: 3-[bis(2-phenoxyethyl)amino]-1H-1,2-benzisothiazole-1,1-dione

8005-9565 Screening compound: 3-[bis(2-phenoxyethyl)amino]-1H-1,2-benzisothiazole-1,1-dione
8005-9565 Screening compound: 3-[bis(2-phenoxyethyl)amino]-1H-1,2-benzisothiazole-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9565
3-[bis(2-phenoxyethyl)amino]-1H-1,2-benzisothiazole-1,1-dione

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

8005-9565

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

3-[bis(2-phenoxyethyl)amino]-1H-1,2-benzisothiazole-1,1-dione

IUPAC name

3-[bis(2-phenoxyethyl)amino]-1lambda62-benzothiazole-11-dione

SMILES

O=S(c1c2cccc1)(N=C2N(CCOc1ccccc1)CCOc1ccccc1)=O

InChI

InChI=1S/C23H22N2O4S/c26-30(27)22-14-8-7-13-21(22)23(24-30)25(15-17-28-19-9-3-1-4-10-19)16-18-29-20-11-5-2-6-12-20/h1-14H,15-18H2

InChI Key

ORYNKHQCPWHWRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00469742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.427

Water Solubility, LogSw

-4.40

Polar Surface Area

57.214

Acid Dissociation Constant (pKa)

30.77

Base Dissociation Constant (pKb)

-3.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

8005-9565 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-9565 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9565?
Check Price and Availability of 8005-9565, 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 8005-9565 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9565
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9565
  • 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 8005-9565 available by request