K261-2546 Screening compound: 4-butyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione

K261-2546 Screening compound: 4-butyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione
K261-2546 Screening compound: 4-butyl-3-[(3-methoxybenzyl)sulfanyl]-1lambda~6~,2,4-benzothiadiazine-1,1(4H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-2546
4-butyl-3-[(3-methoxybenzyl)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

K261-2546

Molecular Formula

C19H22N2O3S2 (C19 H22 N2 O3 S2)

Compound Name

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

IUPAC name

4-butyl-3-{[(3-methoxyphenyl)methyl]sulfanyl}-4H-1lambda624-benzothiadiazine-11-dione

SMILES

CCCCN(c1c2cccc1)C(SCc1cc(OC)ccc1)=NS2(=O)=O

InChI

InChI=1S/C19H22N2O3S2/c1-3-4-12-21-17-10-5-6-11-18(17)26(22,23)20-19(21)25-14-15-8-7-9-16(13-15)24-2/h5-11,13H,3-4,12,14H2,1-2H3

InChI Key

SCFWREPDPZSDIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.19

Polar Surface Area

51.507

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

References: we are preparing a list of scientific research reports with K261-2546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2546?
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What is the minimum amount of K261-2546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2546
  • 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 K261-2546 available by request