K606-0245 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate

K606-0245 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate
K606-0245 Screening compound: 2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]ethyl 2-[4-oxo-3(4H)-quinazolinyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K606-0245
2-[(1,1-dioxo-1H-1,2-benzisothiazol-3-yl)anilino]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

K606-0245

Molecular Formula

C25H20N4O5S (C25 H20 N4 O5 S)

Compound Name

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

IUPAC name

2-[(11-dioxo-1lambda62-benzothiazol-3-yl)(phenyl)amino]ethyl 2-(4-oxo-34-dihydroquinazolin-3-yl)acetate

SMILES

O=C(CN(C=Nc1c2cccc1)C2=O)OCCN(C(c1c2cccc1)=NS2(=O)=O)c1ccccc1

InChI

InChI=1S/C25H20N4O5S/c30-23(16-28-17-26-21-12-6-4-10-19(21)25(28)31)34-15-14-29(18-8-2-1-3-9-18)24-20-11-5-7-13-22(20)35(32,33)27-24/h1-13,17H,14-16H2

InChI Key

HRGWTECWQKRHEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03699195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

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

2.148

Distribution Coefficient, logD

2.148

Water Solubility, LogSw

-2.98

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

12.00

K606-0245 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K606-0245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K606-0245?
Check Price and Availability of K606-0245, 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 K606-0245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K606-0245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K606-0245
  • 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 K606-0245 available by request