K261-3059 Screening compound: ethyl 2-({2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl}amino)benzoate

K261-3059 Screening compound: ethyl 2-({2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl}amino)benzoate
K261-3059 Screening compound: ethyl 2-({2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3059
ethyl 2-({2-[(4-ethyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl}amino)benzoate

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

K261-3059

Molecular Formula

C20H21N3O5S2 (C20 H21 N3 O5 S2)

Compound Name

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

IUPAC name

ethyl 2-{2-[(4-ethyl-11-dioxo-4H-1lambda624-benzothiadiazin-3-yl)sulfanyl]acetamido}benzoate

SMILES

CCN(c1c2cccc1)C(SCC(Nc(cccc1)c1C(OCC)=O)=O)=NS2(=O)=O

InChI

InChI=1S/C20H21N3O5S2/c1-3-23-16-11-7-8-12-17(16)30(26,27)22-20(23)29-13-18(24)21-15-10-6-5-9-14(15)19(25)28-4-2/h5-12H,3-4,13H2,1-2H3,(H,21,24)

InChI Key

QZRVEKJAGCLSAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09249741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

3.168

Water Solubility, LogSw

-3.70

Polar Surface Area

86.915

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with K261-3059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3059?
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What is the minimum amount of K261-3059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3059
  • 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 K261-3059 available by request