K261-2559 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2559 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2559 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2559
4-[2-(1-azepanyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

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

K261-2559

Molecular Formula

C15H19N3O3S (C15 H19 N3 O3 S)

Compound Name

4-[2-(1-azepanyl)-2-oxoethyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-[2-(azepan-1-yl)-2-oxoethyl]-4H-1lambda624-benzothiadiazine-11-dione

SMILES

O=C(CN(C=N1)c(cccc2)c2S1(=O)=O)N1CCCCCC1

InChI

InChI=1S/C15H19N3O3S/c19-15(17-9-5-1-2-6-10-17)11-18-12-16-22(20,21)14-8-4-3-7-13(14)18/h3-4,7-8,12H,1-2,5-6,9-11H2

InChI Key

LPBWKIMRCYGLQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.388

Distribution Coefficient, logD

1.388

Water Solubility, LogSw

-2.22

Polar Surface Area

60.189

Acid Dissociation Constant (pKa)

26.51

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

K261-2559 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 K261-2559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2559?
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What is the minimum amount of K261-2559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2559
  • 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 K261-2559 available by request