K261-2532 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(4-phenoxyphenyl)butanamide

K261-2532 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(4-phenoxyphenyl)butanamide
K261-2532 Screening compound: 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(4-phenoxyphenyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2532
4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(4-phenoxyphenyl)butanamide

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

K261-2532

Molecular Formula

C24H23N3O4S (C24 H23 N3 O4 S)

Compound Name

4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methyl-N~1~-(4-phenoxyphenyl)butanamide

IUPAC name

4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-3-methyl-N-(4-phenoxyphenyl)butanamide

SMILES

CC(CC(Nc(cc1)ccc1Oc1ccccc1)=O)CC(N1)=Nc(cccc2)c2S1(=O)=O

InChI

InChI=1S/C24H23N3O4S/c1-17(15-23-26-21-9-5-6-10-22(21)32(29,30)27-23)16-24(28)25-18-11-13-20(14-12-18)31-19-7-3-2-4-8-19/h2-14,17H,15-16H2,1H3,(H,25,28)(H,26,27)/t17-/m1/s1

InChI Key

RCOPXPDTZIMCKL-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD08539805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.124

Distribution Coefficient, logD

3.684

Water Solubility, LogSw

-4.16

Polar Surface Area

80.521

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

K261-2532 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS Targets (44014 compounds)

MCL1 Targeted Library (12200 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with K261-2532 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2532?
Check Price and Availability of K261-2532, 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 K261-2532 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2532
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2532
  • 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 K261-2532 available by request