K784-6728 Screening compound: 2-{[(4-chlorophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

K784-6728 Screening compound: 2-{[(4-chlorophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
K784-6728 Screening compound: 2-{[(4-chlorophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-6728
2-{[(4-chlorophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-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

K784-6728

Molecular Formula

C25H30ClN3O4S (C25 H30 ClN3 O4 S)

Compound Name

2-{[(4-chlorophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

2-{[(4-chlorophenyl)methanesulfonyl]methyl}-N-cyclooctyl-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc(cc1)ccc1Cl)(=O)=O)C2=O)NC1CCCCCCC1

InChI

InChI=1S/C25H30ClN3O4S/c26-19-11-8-17(9-12-19)15-34(32,33)16-23-25(31)29-22-14-18(10-13-21(22)28-23)24(30)27-20-6-4-2-1-3-5-7-20/h8-14,20,23,28H,1-7,15-16H2,(H,27,30)(H,29,31)/t23-/m0/s1

InChI Key

YYDRBKDMTVYTCJ-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD15098613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.224

Water Solubility, LogSw

-4.50

Polar Surface Area

89.868

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

-0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

K784-6728 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K784-6728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-6728?
Check Price and Availability of K784-6728, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K784-6728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-6728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-6728
  • 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 K784-6728 available by request