K784-7078 Screening compound: 2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-[3-(diethylamino)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide

K784-7078 Screening compound: 2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-[3-(diethylamino)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
K784-7078 Screening compound: 2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-[3-(diethylamino)propyl]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-7078
2-{[(3-bromophenyl)methanesulfonyl]methyl}-N-[3-(diethylamino)propyl]-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

K784-7078

Molecular Formula

C24H31BrN4O4S (C24 H31 BrN4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCCNC(c(cc1)cc(N2)c1NC(CS(Cc1cccc(Br)c1)(=O)=O)C2=O)=O

InChI

InChI=1S/C24H31BrN4O4S/c1-3-29(4-2)12-6-11-26-23(30)18-9-10-20-21(14-18)28-24(31)22(27-20)16-34(32,33)15-17-7-5-8-19(25)13-17/h5,7-10,13-14,22,27H,3-4,6,11-12,15-16H2,1-2H3,(H,26,30)(H,28,31)/t22-/m0/s1

InChI Key

KEWXIISDWGCXFQ-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD15098660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

551.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.633

Distribution Coefficient, logD

-0.088

Water Solubility, LogSw

-3.06

Polar Surface Area

93.335

Acid Dissociation Constant (pKa)

10.45

Base Dissociation Constant (pKb)

10.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

K784-7078 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Human Proteases Annotated Library (2868 compounds)

MCL1 Targeted Library (12200 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with K784-7078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-7078?
Check Price and Availability of K784-7078, 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 K784-7078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-7078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-7078
  • 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 K784-7078 available by request