K261-0846 Screening compound: 4-(3-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-0846 Screening compound: 4-(3-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-0846 Screening compound: 4-(3-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0846
4-(3-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

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

K261-0846

Molecular Formula

C21H17FN2O4S (C21 H17 FN2 O4 S)

Compound Name

4-(3-fluorobenzyl)-2-(4-methoxyphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

COc(cc1)ccc1N(C(N(Cc1cc(F)ccc1)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C21H17FN2O4S/c1-28-18-11-9-17(10-12-18)24-21(25)23(14-15-5-4-6-16(22)13-15)19-7-2-3-8-20(19)29(24,26)27/h2-13H,14H2,1H3

InChI Key

HRMAKSAOLTUDMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06403611

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.359

Distribution Coefficient, logD

4.359

Water Solubility, LogSw

-4.36

Polar Surface Area

54.286

Acid Dissociation Constant (pKa)

27.85

Base Dissociation Constant (pKb)

-10.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

K261-0846 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K261-0846 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0846?
Check Price and Availability of K261-0846, 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 K261-0846 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0846
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0846
  • 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 K261-0846 available by request