K261-3017 Screening compound: 3-{[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde

K261-3017 Screening compound: 3-{[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]methyl}-4-methoxybenzaldehyde
K261-3017 Screening compound: 3-{[(4-ethyl-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 K261-3017
3-{[(4-ethyl-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

K261-3017

Molecular Formula

C18H18N2O4S2 (C18 H18 N2 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H18N2O4S2/c1-3-20-15-6-4-5-7-17(15)26(22,23)19-18(20)25-12-14-10-13(11-21)8-9-16(14)24-2/h4-11H,3,12H2,1-2H3

InChI Key

UMDZFJIQRAWUPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.120

Distribution Coefficient, logD

3.120

Water Solubility, LogSw

-3.38

Polar Surface Area

65.499

Acid Dissociation Constant (pKa)

29.85

Base Dissociation Constant (pKb)

0.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

K261-3017 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 K261-3017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3017?
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What is the minimum amount of K261-3017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3017
  • 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 K261-3017 available by request