K261-2936 Screening compound: 4-(2-fluorobenzyl)-2-(4-isopropylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2936 Screening compound: 4-(2-fluorobenzyl)-2-(4-isopropylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2936 Screening compound: 4-(2-fluorobenzyl)-2-(4-isopropylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2936
4-(2-fluorobenzyl)-2-(4-isopropylphenyl)-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

K261-2936

Molecular Formula

C23H21FN2O3S (C23 H21 FN2 O3 S)

Compound Name

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

IUPAC name

4-[(2-fluorophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

CC(C)c(cc1)ccc1N(C(N(Cc(cccc1)c1F)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C23H21FN2O3S/c1-16(2)17-11-13-19(14-12-17)26-23(27)25(15-18-7-3-4-8-20(18)24)21-9-5-6-10-22(21)30(26,28)29/h3-14,16H,15H2,1-2H3

InChI Key

DKMMQYYUFOTBRE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

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

5.733

Distribution Coefficient, logD

5.733

Water Solubility, LogSw

-5.45

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-10.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K261-2936 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-2936 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2936?
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What is the minimum amount of K261-2936 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2936
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2936
  • 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 K261-2936 available by request