K261-1602 Screening compound: 2-benzyl-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-1602 Screening compound: 2-benzyl-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-1602 Screening compound: 2-benzyl-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1602
2-benzyl-4-[3-(trifluoromethyl)benzyl]-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

K261-1602

Molecular Formula

C22H17F3N2O3S (C22 H17 F3 N2 O3 S)

Compound Name

2-benzyl-4-[3-(trifluoromethyl)benzyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-benzyl-4-{[3-(trifluoromethyl)phenyl]methyl}-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

O=C(N(Cc1cc(C(F)(F)F)ccc1)c1c2cccc1)N(Cc1ccccc1)S2(=O)=O

InChI

InChI=1S/C22H17F3N2O3S/c23-22(24,25)18-10-6-9-17(13-18)14-26-19-11-4-5-12-20(19)31(29,30)27(21(26)28)15-16-7-2-1-3-8-16/h1-13H,14-15H2

InChI Key

ARLPEXBLLGOLOR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.931

Distribution Coefficient, logD

4.931

Water Solubility, LogSw

-4.86

Polar Surface Area

46.959

Acid Dissociation Constant (pKa)

26.40

Base Dissociation Constant (pKb)

-11.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

K261-1602 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-1602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1602?
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What is the minimum amount of K261-1602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1602
  • 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 K261-1602 available by request