K784-7086 Screening compound: N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

K784-7086 Screening compound: N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
K784-7086 Screening compound: N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7086
N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-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

K784-7086

Molecular Formula

C26H33BrN4O4S (C26 H33 BrN4 O4 S)

Compound Name

N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-2-{[(3-bromophenyl)methanesulfonyl]methyl}-3-oxo-1234-tetrahydroquinoxaline-6-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1NC(CS(Cc1cccc(Br)c1)(=O)=O)C2=O)NCCCN1CCCCCC1

InChI

InChI=1S/C26H33BrN4O4S/c27-21-8-5-7-19(15-21)17-36(34,35)18-24-26(33)30-23-16-20(9-10-22(23)29-24)25(32)28-11-6-14-31-12-3-1-2-4-13-31/h5,7-10,15-16,24,29H,1-4,6,11-14,17-18H2,(H,28,32)(H,30,33)/t24-/m0/s1

InChI Key

XIQGAJBUTJUYFQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD15098667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

577.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.092

Distribution Coefficient, logD

0.521

Water Solubility, LogSw

-3.45

Polar Surface Area

93.966

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

K784-7086 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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 K784-7086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7086?
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What is the minimum amount of K784-7086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7086
  • 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 K784-7086 available by request