K606-0169 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxyanilino]ethyl (E)-3-(3-chlorophenyl)-2-propenoate

K606-0169 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxyanilino]ethyl (E)-3-(3-chlorophenyl)-2-propenoate
K606-0169 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxyanilino]ethyl (E)-3-(3-chlorophenyl)-2-propenoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K606-0169
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxyanilino]ethyl (E)-3-(3-chlorophenyl)-2-propenoate

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

K606-0169

Molecular Formula

C25H21ClN2O5S (C25 H21 ClN2 O5 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-2-methoxyanilino]ethyl (E)-3-(3-chlorophenyl)-2-propenoate

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)(2-methoxyphenyl)amino]ethyl (2E)-3-(3-chlorophenyl)prop-2-enoate

SMILES

COc(cccc1)c1N(CCOC(/C=C/c1cccc(Cl)c1)=O)C(c1c2cccc1)=NS2(=O)=O

InChI

InChI=1S/C25H21ClN2O5S/c1-32-22-11-4-3-10-21(22)28(25-20-9-2-5-12-23(20)34(30,31)27-25)15-16-33-24(29)14-13-18-7-6-8-19(26)17-18/h2-14,17H,15-16H2,1H3

InChI Key

RTTMVCVYTNSXGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093297

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.97

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

5.224

Distribution Coefficient, logD

5.224

Water Solubility, LogSw

-5.45

Polar Surface Area

69.594

Acid Dissociation Constant (pKa)

31.05

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K606-0169 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K606-0169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K606-0169?
Check Price and Availability of K606-0169, 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 K606-0169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K606-0169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K606-0169
  • 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 K606-0169 available by request