K261-0793 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide

K261-0793 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide
K261-0793 Screening compound: N~1~-(3,4-diethoxyphenethyl)-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K261-0793
N~1~-(3,4-diethoxyphenethyl)-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}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

K261-0793

Molecular Formula

C27H35N3O5S (C27 H35 N3 O5 S)

Compound Name

N~1~-(3,4-diethoxyphenethyl)-2-{1-[(1,1-dioxo-1,2-dihydro-1lambda~6~,2,4-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-2-{1-[(11-dioxo-2H-1lambda624-benzothiadiazin-3-yl)methyl]cyclopentyl}acetamide

SMILES

CCOc(ccc(CCNC(CC1(CC(N2)=Nc(cccc3)c3S2(=O)=O)CCCC1)=O)c1)c1OCC

InChI

InChI=1S/C27H35N3O5S/c1-3-34-22-12-11-20(17-23(22)35-4-2)13-16-28-26(31)19-27(14-7-8-15-27)18-25-29-21-9-5-6-10-24(21)36(32,33)30-25/h5-6,9-12,17H,3-4,7-8,13-16,18-19H2,1-2H3,(H,28,31)(H,29,30)

InChI Key

WUGZMKSBZNNBSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08569253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.237

Distribution Coefficient, logD

1.663

Water Solubility, LogSw

-2.92

Polar Surface Area

89.644

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

3.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.10

K261-0793 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K261-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K261-0793?
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What is the minimum amount of K261-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K261-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K261-0793
  • 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 K261-0793 available by request