K261-1430 Screening compound: 2-oxo-2-(2-toluidino)ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

K261-1430 Screening compound: 2-oxo-2-(2-toluidino)ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate
K261-1430 Screening compound: 2-oxo-2-(2-toluidino)ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-1430
2-oxo-2-(2-toluidino)ethyl 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

K261-1430

Molecular Formula

C20H21N3O5S (C20 H21 N3 O5 S)

Compound Name

2-oxo-2-(2-toluidino)ethyl 4-(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)butanoate

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H21N3O5S/c1-14-7-2-3-8-15(14)22-19(24)13-28-20(25)12-6-11-18-21-16-9-4-5-10-17(16)29(26,27)23-18/h2-5,7-10H,6,11-13H2,1H3,(H,21,23)(H,22,24)

InChI Key

ZGEGPBDYISRGTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15084447

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.486

Distribution Coefficient, logD

1.160

Water Solubility, LogSw

-2.43

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

25.00

References: we are preparing a list of scientific research reports with K261-1430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-1430?
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What is the minimum amount of K261-1430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-1430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-1430
  • 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 K261-1430 available by request