K261-2516 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione

K261-2516 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione
K261-2516 Screening compound: 4-[2-(1-azepanyl)-2-oxoethyl]-2-(2,3-dimethylphenyl)-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2516
4-[2-(1-azepanyl)-2-oxoethyl]-2-(2,3-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

K261-2516

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

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

IUPAC name

4-[2-(azepan-1-yl)-2-oxoethyl]-2-(23-dimethylphenyl)-34-dihydro-2H-1lambda624-benzothiadiazine-113-trione

SMILES

Cc1cccc(N(C(N(CC(N2CCCCCC2)=O)c2c3cccc2)=O)S3(=O)=O)c1C

InChI

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

InChI Key

AFOHOPFYZUCJRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084950

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

3.963

Distribution Coefficient, logD

3.963

Water Solubility, LogSw

-3.94

Polar Surface Area

63.165

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 K261-2516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2516?
Check Price and Availability of K261-2516, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K261-2516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2516
  • 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 K261-2516 available by request