K606-0231 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate

K606-0231 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate
K606-0231 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K606-0231
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]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

K606-0231

Molecular Formula

C26H22N4O5S (C26 H22 N4 O5 S)

Compound Name

2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)-3-methylanilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate

IUPAC name

n/a

SMILES

Cc1cccc(N(CCOC(CN(C=Nc2c3cccc2)C3=O)=O)C(c2c3cccc2)=NS3(=O)=O)c1

InChI

InChI=1S/C26H22N4O5S/c1-18-7-6-8-19(15-18)30(25-21-10-3-5-12-23(21)36(33,34)28-25)13-14-35-24(31)16-29-17-27-22-11-4-2-9-20(22)26(29)32/h2-12,15,17H,13-14,16H2,1H3

InChI Key

NZQQQCSGWZVESA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.743

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.56

Polar Surface Area

88.636

Acid Dissociation Constant (pKa)

26.35

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.38

K606-0231 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with K606-0231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K606-0231?
Check Price and Availability of K606-0231, 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 K606-0231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K606-0231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K606-0231
  • 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 K606-0231 available by request