K261-3104 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

K261-3104 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide
K261-3104 Screening compound: N~1~-(2,3-dimethoxybenzyl)-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-3104
N~1~-(2,3-dimethoxybenzyl)-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

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

K261-3104

Molecular Formula

C26H27N3O6S (C26 H27 N3 O6 S)

Compound Name

N~1~-(2,3-dimethoxybenzyl)-2-[2-(3-ethylphenyl)-1,1,3-trioxo-2,3-dihydro-1lambda~6~,2,4-benzothiadiazin-4(1H)-yl]acetamide

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-2-[2-(3-ethylphenyl)-113-trioxo-34-dihydro-2H-1lambda624-benzothiadiazin-4-yl]acetamide

SMILES

CCc1cccc(N(C(N(CC(NCc(cccc2OC)c2OC)=O)c2c3cccc2)=O)S3(=O)=O)c1

InChI

InChI=1S/C26H27N3O6S/c1-4-18-9-7-11-20(15-18)29-26(31)28(21-12-5-6-14-23(21)36(29,32)33)17-24(30)27-16-19-10-8-13-22(34-2)25(19)35-3/h5-15H,4,16-17H2,1-3H3,(H,27,30)

InChI Key

QWGMNIVCFPULFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085279

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.25

Polar Surface Area

86.562

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

K261-3104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K261-3104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-3104?
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What is the minimum amount of K261-3104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-3104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-3104
  • 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 K261-3104 available by request