K261-2890 Screening compound: 4-(2-chloro-6-fluorobenzyl)-2-(4-isopropylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2890 Screening compound: 4-(2-chloro-6-fluorobenzyl)-2-(4-isopropylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2890 Screening compound: 4-(2-chloro-6-fluorobenzyl)-2-(4-isopropylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2890
4-(2-chloro-6-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

K261-2890

Molecular Formula

C23H20ClFN2O3S (C23 H20 ClFN2 O3 S)

Compound Name

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

IUPAC name

4-[(2-chloro-6-fluorophenyl)methyl]-2-[4-(propan-2-yl)phenyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

CC(C)c(cc1)ccc1N(C(N(Cc(c(F)ccc1)c1Cl)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C23H20ClFN2O3S/c1-15(2)16-10-12-17(13-11-16)27-23(28)26(14-18-19(24)6-5-7-20(18)25)21-8-3-4-9-22(21)31(27,29)30/h3-13,15H,14H2,1-2H3

InChI Key

IHSWDVTUVDOSPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085132

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.94

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

6.068

Distribution Coefficient, logD

6.068

Water Solubility, LogSw

-6.11

Polar Surface Area

46.743

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

-11.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

K261-2890 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K261-2890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2890?
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What is the minimum amount of K261-2890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2890
  • 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 K261-2890 available by request