K261-2365 Screening compound: ethyl 2-({2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl}amino)benzoate

K261-2365 Screening compound: ethyl 2-({2-[(4-butyl-1,1-dioxo-1,4-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)sulfanyl]acetyl}amino)benzoate
K261-2365 Screening compound: ethyl 2-({2-[(4-butyl-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 K261-2365
ethyl 2-({2-[(4-butyl-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

K261-2365

Molecular Formula

C22H25N3O5S2 (C22 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H25N3O5S2/c1-3-5-14-25-18-12-8-9-13-19(18)32(28,29)24-22(25)31-15-20(26)23-17-11-7-6-10-16(17)21(27)30-4-2/h6-13H,3-5,14-15H2,1-2H3,(H,23,26)

InChI Key

ZEIJMJLPXGTBMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.05

Polar Surface Area

87.168

Acid Dissociation Constant (pKa)

9.02

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with K261-2365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-2365?
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What is the minimum amount of K261-2365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-2365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-2365
  • 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 K261-2365 available by request