8009-5834 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]-1-(phenoxymethyl)ethyl 1-naphthoate

8009-5834 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]-1-(phenoxymethyl)ethyl 1-naphthoate
8009-5834 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]-1-(phenoxymethyl)ethyl 1-naphthoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5834
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]-1-(phenoxymethyl)ethyl 1-naphthoate

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

8009-5834

Molecular Formula

C28H24N2O5S (C28 H24 N2 O5 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)(methyl)amino]-1-(phenoxymethyl)ethyl 1-naphthoate

IUPAC name

1-[(11-dioxo-1lambda62-benzothiazol-3-yl)(methyl)amino]-3-phenoxypropan-2-yl naphthalene-1-carboxylate

SMILES

CN(CC(COc1ccccc1)OC(c1cccc2ccccc12)=O)C(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C28H24N2O5S/c1-30(27-25-15-7-8-17-26(25)36(32,33)29-27)18-22(19-34-21-12-3-2-4-13-21)35-28(31)24-16-9-11-20-10-5-6-14-23(20)24/h2-17,22H,18-19H2,1H3/t22-/m0/s1

InChI Key

CMQVNLDZJDGWTE-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD01441292

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.797

Distribution Coefficient, logD

4.797

Water Solubility, LogSw

-5.32

Polar Surface Area

69.787

Acid Dissociation Constant (pKa)

28.56

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.30

8009-5834 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein Arginine Methyltransferases Library (27925 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

References: we are preparing a list of scientific research reports with 8009-5834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5834?
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What is the minimum amount of 8009-5834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5834
  • 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 8009-5834 available by request