K788-1221 Screening compound: 6-(1-azepanylsulfonyl)-N-(2-methoxyethyl)-2-(3-pyridyl)-4-quinolinecarboxamide

K788-1221 Screening compound: 6-(1-azepanylsulfonyl)-N-(2-methoxyethyl)-2-(3-pyridyl)-4-quinolinecarboxamide
K788-1221 Screening compound: 6-(1-azepanylsulfonyl)-N-(2-methoxyethyl)-2-(3-pyridyl)-4-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1221
6-(1-azepanylsulfonyl)-N-(2-methoxyethyl)-2-(3-pyridyl)-4-quinolinecarboxamide

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

K788-1221

Molecular Formula

C24H28N4O4S (C24 H28 N4 O4 S)

Compound Name

6-(1-azepanylsulfonyl)-N-(2-methoxyethyl)-2-(3-pyridyl)-4-quinolinecarboxamide

IUPAC name

6-(azepane-1-sulfonyl)-N-(2-methoxyethyl)-2-(pyridin-3-yl)quinoline-4-carboxamide

SMILES

COCCNC(c1c(cc(cc2)S(N3CCCCCC3)(=O)=O)c2nc(-c2cnccc2)c1)=O

InChI

InChI=1S/C24H28N4O4S/c1-32-14-11-26-24(29)21-16-23(18-7-6-10-25-17-18)27-22-9-8-19(15-20(21)22)33(30,31)28-12-4-2-3-5-13-28/h6-10,15-17H,2-5,11-14H2,1H3,(H,26,29)

InChI Key

VJENCCORFPAVDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15102974

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.381

Distribution Coefficient, logD

3.380

Water Solubility, LogSw

-3.62

Polar Surface Area

82.726

Acid Dissociation Constant (pKa)

14.83

Base Dissociation Constant (pKb)

4.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

K788-1221 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K788-1221 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1221?
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What is the minimum amount of K788-1221 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1221
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1221
  • 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 K788-1221 available by request