K261-3045 Screening compound: 4-ethyl-3-[(2-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-3045 Screening compound: 4-ethyl-3-[(2-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-3045 Screening compound: 4-ethyl-3-[(2-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3045
4-ethyl-3-[(2-methylbenzyl)sulfanyl]-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

K261-3045

Molecular Formula

C17H18N2O2S2 (C17 H18 N2 O2 S2)

Compound Name

4-ethyl-3-[(2-methylbenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

IUPAC name

4-ethyl-3-{[(2-methylphenyl)methyl]sulfanyl}-4H-1lambda624-benzothiadiazine-11-dione

SMILES

CCN(c1c2cccc1)C(SCc1c(C)cccc1)=NS2(=O)=O

InChI

InChI=1S/C17H18N2O2S2/c1-3-19-15-10-6-7-11-16(15)23(20,21)18-17(19)22-12-14-9-5-4-8-13(14)2/h4-11H,3,12H2,1-2H3

InChI Key

OEDIONXEDWCWFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085246

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.312

Distribution Coefficient, logD

4.312

Water Solubility, LogSw

-4.24

Polar Surface Area

43.710

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

K261-3045 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K261-3045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3045?
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What is the minimum amount of K261-3045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3045
  • 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 K261-3045 available by request