K606-0030 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 3,5-dimethoxybenzoate

K606-0030 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 3,5-dimethoxybenzoate
K606-0030 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 3,5-dimethoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K606-0030
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 3,5-dimethoxybenzoate

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

K606-0030

Molecular Formula

C22H18N2O6S (C22 H18 N2 O6 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)amino]phenyl 3,5-dimethoxybenzoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)amino]phenyl 35-dimethoxybenzoate

SMILES

COc1cc(C(Oc(cccc2)c2NC(c2c3cccc2)=NS3(=O)=O)=O)cc(OC)c1

InChI

InChI=1S/C22H18N2O6S/c1-28-15-11-14(12-16(13-15)29-2)22(25)30-19-9-5-4-8-18(19)23-21-17-7-3-6-10-20(17)31(26,27)24-21/h3-13H,1-2H3,(H,23,24)

InChI Key

BKAWGXJLYNFTKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.374

Distribution Coefficient, logD

3.261

Water Solubility, LogSw

-3.99

Polar Surface Area

85.699

Acid Dissociation Constant (pKa)

7.93

Base Dissociation Constant (pKb)

-3.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

K606-0030 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K606-0030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K606-0030?
Check Price and Availability of K606-0030, 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 K606-0030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K606-0030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K606-0030
  • 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 K606-0030 available by request