K788-9661 Screening compound: 6-(butylsulfamoyl)-N-(2,2-diethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

K788-9661 Screening compound: 6-(butylsulfamoyl)-N-(2,2-diethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
K788-9661 Screening compound: 6-(butylsulfamoyl)-N-(2,2-diethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9661
6-(butylsulfamoyl)-N-(2,2-diethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

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

K788-9661

Molecular Formula

C25H32N4O5S (C25 H32 N4 O5 S)

Compound Name

6-(butylsulfamoyl)-N-(2,2-diethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

IUPAC name

6-(butylsulfamoyl)-N-(22-diethoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

SMILES

CCCCNS(c(ccc1nc(-c2cnccc2)c2)cc1c2C(NCC(OCC)OCC)=O)(=O)=O

InChI

InChI=1S/C25H32N4O5S/c1-4-7-13-28-35(31,32)19-10-11-22-20(14-19)21(15-23(29-22)18-9-8-12-26-16-18)25(30)27-17-24(33-5-2)34-6-3/h8-12,14-16,24,28H,4-7,13,17H2,1-3H3,(H,27,30)

InChI Key

CYTTYPJCJYGKSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108696

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.62

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.731

Distribution Coefficient, logD

3.730

Water Solubility, LogSw

-3.75

Polar Surface Area

99.026

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

K788-9661 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K788-9661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9661?
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What is the minimum amount of K788-9661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9661
  • 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 K788-9661 available by request