K261-1402 Screening compound: ethyl 2-[2-(4-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetate

K261-1402 Screening compound: ethyl 2-[2-(4-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetate
K261-1402 Screening compound: ethyl 2-[2-(4-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1402
ethyl 2-[2-(4-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetate

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

K261-1402

Molecular Formula

C19H20N2O5S (C19 H20 N2 O5 S)

Compound Name

ethyl 2-[2-(4-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetate

IUPAC name

ethyl 2-[2-(4-ethylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetate

SMILES

CCc(cc1)ccc1N(C(N(CC(OCC)=O)c1c2cccc1)=O)S2(=O)=O

InChI

InChI=1S/C19H20N2O5S/c1-3-14-9-11-15(12-10-14)21-19(23)20(13-18(22)26-4-2)16-7-5-6-8-17(16)27(21,24)25/h5-12H,3-4,13H2,1-2H3

InChI Key

YBRDBHCSFWKAHX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07654757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.617

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.68

Polar Surface Area

67.173

Acid Dissociation Constant (pKa)

23.32

Base Dissociation Constant (pKb)

-10.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with K261-1402 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1402?
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What is the minimum amount of K261-1402 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1402
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1402
  • 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 K261-1402 available by request