K261-2525 Screening compound: 2-(5-chloro-2-methylphenyl)-4-[2-(2-methylpiperidino)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2525 Screening compound: 2-(5-chloro-2-methylphenyl)-4-[2-(2-methylpiperidino)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2525 Screening compound: 2-(5-chloro-2-methylphenyl)-4-[2-(2-methylpiperidino)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2525
2-(5-chloro-2-methylphenyl)-4-[2-(2-methylpiperidino)-2-oxoethyl]-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

K261-2525

Molecular Formula

C22H24ClN3O4S (C22 H24 ClN3 O4 S)

Compound Name

2-(5-chloro-2-methylphenyl)-4-[2-(2-methylpiperidino)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

2-(5-chloro-2-methylphenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

CC(CCCC1)N1C(CN(c(cccc1)c1S(N1c2c(C)ccc(Cl)c2)(=O)=O)C1=O)=O

InChI

InChI=1S/C22H24ClN3O4S/c1-15-10-11-17(23)13-19(15)26-22(28)25(14-21(27)24-12-6-5-7-16(24)2)18-8-3-4-9-20(18)31(26,29)30/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m0/s1

InChI Key

ZZUHUQQAXQXBJE-INIZCTEOSA-N

MDL Number (MFCD)

MFCD08539804

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.33

Polar Surface Area

62.119

Acid Dissociation Constant (pKa)

24.28

Base Dissociation Constant (pKb)

2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

K261-2525 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 K261-2525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2525?
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What is the minimum amount of K261-2525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2525
  • 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 K261-2525 available by request