K261-2314 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2314 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2314 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2314
4-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-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

K261-2314

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

4-[2-(1-azepanyl)-2-oxoethyl]-2-(3,5-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

IUPAC name

4-[2-(azepan-1-yl)-2-oxoethyl]-2-(35-dimethylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1cc(N(C(N(CC(N2CCCCCC2)=O)c2c3cccc2)=O)S3(=O)=O)cc(C)c1

InChI

InChI=1S/C23H27N3O4S/c1-17-13-18(2)15-19(14-17)26-23(28)25(16-22(27)24-11-7-3-4-8-12-24)20-9-5-6-10-21(20)31(26,29)30/h5-6,9-10,13-15H,3-4,7-8,11-12,16H2,1-2H3

InChI Key

WAAWVJRACRRICB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08141330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

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

4.057

Distribution Coefficient, logD

4.057

Water Solubility, LogSw

-4.07

Polar Surface Area

63.466

Acid Dissociation Constant (pKa)

23.70

Base Dissociation Constant (pKb)

5.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with K261-2314 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2314?
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What is the minimum amount of K261-2314 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2314
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2314
  • 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 K261-2314 available by request