K261-2455 Screening compound: 2-(4-fluorophenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2455 Screening compound: 2-(4-fluorophenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2455 Screening compound: 2-(4-fluorophenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2455
2-(4-fluorophenyl)-4-(3-nitrobenzyl)-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

K261-2455

Molecular Formula

C20H14FN3O5S (C20 H14 FN3 O5 S)

Compound Name

2-(4-fluorophenyl)-4-(3-nitrobenzyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

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

SMILES

[O-][N+](c1cccc(CN(c(cccc2)c2S(N2c(cc3)ccc3F)(=O)=O)C2=O)c1)=O

InChI

InChI=1S/C20H14FN3O5S/c21-15-8-10-16(11-9-15)23-20(25)22(13-14-4-3-5-17(12-14)24(26)27)18-6-1-2-7-19(18)30(23,28)29/h1-12H,13H2

InChI Key

UHJCNDZIHDUCAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.146

Distribution Coefficient, logD

4.146

Water Solubility, LogSw

-4.37

Polar Surface Area

80.124

Acid Dissociation Constant (pKa)

28.24

Base Dissociation Constant (pKb)

-12.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

References: we are preparing a list of scientific research reports with K261-2455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2455?
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What is the minimum amount of K261-2455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2455
  • 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 K261-2455 available by request