K261-1042 Screening compound: 4-[2-(4-fluorophenoxy)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-1042 Screening compound: 4-[2-(4-fluorophenoxy)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-1042 Screening compound: 4-[2-(4-fluorophenoxy)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1042
4-[2-(4-fluorophenoxy)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

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

K261-1042

Molecular Formula

C15H13FN2O3S (C15 H13 FN2 O3 S)

Compound Name

4-[2-(4-fluorophenoxy)ethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

n/a

SMILES

O=S1(N=CN(CCOc(cc2)ccc2F)c2c1cccc2)=O

InChI

InChI=1S/C15H13FN2O3S/c16-12-5-7-13(8-6-12)21-10-9-18-11-17-22(19,20)15-4-2-1-3-14(15)18/h1-8,11H,9-10H2

InChI Key

JJLUMFRNXQUFCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084324

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-2.88

Polar Surface Area

50.861

Acid Dissociation Constant (pKa)

30.07

Base Dissociation Constant (pKb)

1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

K261-1042 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with K261-1042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1042?
Check Price and Availability of K261-1042, 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 K261-1042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1042
  • 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 K261-1042 available by request