K261-1380 Screening compound: 2-(4-ethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate

K261-1380 Screening compound: 2-(4-ethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate
K261-1380 Screening compound: 2-(4-ethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1380
2-(4-ethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate

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

K261-1380

Molecular Formula

C22H25N3O6S (C22 H25 N3 O6 S)

Compound Name

2-(4-ethoxyanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)-3-methylbutanoate

IUPAC name

[(4-ethoxyphenyl)carbamoyl]methyl 4-(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)-3-methylbutanoate

SMILES

CCOc(cc1)ccc1NC(COC(CC(C)CC(N1)=Nc(cccc2)c2S1(=O)=O)=O)=O

InChI

InChI=1S/C22H25N3O6S/c1-3-30-17-10-8-16(9-11-17)23-21(26)14-31-22(27)13-15(2)12-20-24-18-6-4-5-7-19(18)32(28,29)25-20/h4-11,15H,3,12-14H2,1-2H3,(H,23,26)(H,24,25)/t15-/m1/s1

InChI Key

LRXVAMQIEFXGNV-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD06751225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.795

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-3.51

Polar Surface Area

101.431

Acid Dissociation Constant (pKa)

7.16

Base Dissociation Constant (pKb)

5.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with K261-1380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1380?
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What is the minimum amount of K261-1380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1380
  • 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 K261-1380 available by request