K216-8231 Screening compound: N-[(3-bromophenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide

K216-8231 Screening compound: N-[(3-bromophenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide
K216-8231 Screening compound: N-[(3-bromophenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-8231
N-[(3-bromophenyl)methyl]-2,3-diethylquinoxaline-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

K216-8231

Molecular Formula

C20H20BrN3O (C20 H20 BrN3 O)

Compound Name

N-[(3-bromophenyl)methyl]-2,3-diethylquinoxaline-6-carboxamide

IUPAC name

N-[(3-bromophenyl)methyl]-23-diethylquinoxaline-6-carboxamide

SMILES

CCc1c(CC)nc(cc(cc2)C(NCc3cccc(Br)c3)=O)c2n1

InChI

InChI=1S/C20H20BrN3O/c1-3-16-17(4-2)24-19-11-14(8-9-18(19)23-16)20(25)22-12-13-6-5-7-15(21)10-13/h5-11H,3-4,12H2,1-2H3,(H,22,25)

InChI Key

BQYMXLPGPKULNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.638

Distribution Coefficient, logD

4.638

Water Solubility, LogSw

-4.46

Polar Surface Area

44.116

Acid Dissociation Constant (pKa)

11.59

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

K216-8231 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with K216-8231 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-8231?
Check Price and Availability of K216-8231, 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 K216-8231 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-8231
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-8231
  • 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 K216-8231 available by request