K261-1823 Screening compound: 2-(2-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

K261-1823 Screening compound: 2-(2-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
K261-1823 Screening compound: 2-(2-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1823
2-(2-ethylanilino)-2-oxoethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

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

K261-1823

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1)c1NC(COC(CCCC(N1)=Nc(cccc2)c2S1(=O)=O)=O)=O

InChI

InChI=1S/C21H23N3O5S/c1-2-15-8-3-4-9-16(15)23-20(25)14-29-21(26)13-7-12-19-22-17-10-5-6-11-18(17)30(27,28)24-19/h3-6,8-11H,2,7,12-14H2,1H3,(H,22,24)(H,23,25)

InChI Key

FHCUROWWDTWXDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07656202

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.191

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-2.77

Polar Surface Area

93.610

Acid Dissociation Constant (pKa)

7.35

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with K261-1823 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1823?
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What is the minimum amount of K261-1823 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1823
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1823
  • 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 K261-1823 available by request