K261-2741 Screening compound: 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde

K261-2741 Screening compound: 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
K261-2741 Screening compound: 3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2741
3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde

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

K261-2741

Molecular Formula

C20H22N2O4S2 (C20 H22 N2 O4 S2)

Compound Name

3-{[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde

IUPAC name

3-{[(4-butyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde

SMILES

CCCCN(c1c2cccc1)C(SCc(cc(C=O)cc1)c1OC)=NS2(=O)=O

InChI

InChI=1S/C20H22N2O4S2/c1-3-4-11-22-17-7-5-6-8-19(17)28(24,25)21-20(22)27-14-16-12-15(13-23)9-10-18(16)26-2/h5-10,12-13H,3-4,11,14H2,1-2H3

InChI Key

PYWLCZNHOVMBNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.083

Distribution Coefficient, logD

4.083

Water Solubility, LogSw

-4.08

Polar Surface Area

65.753

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

K261-2741 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K261-2741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2741?
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What is the minimum amount of K261-2741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2741
  • 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 K261-2741 available by request