K216-1680 Screening compound: 2,3-bis(furan-2-yl)-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxaline

K216-1680 Screening compound: 2,3-bis(furan-2-yl)-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxaline
K216-1680 Screening compound: 2,3-bis(furan-2-yl)-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-1680
2,3-bis(furan-2-yl)-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxaline

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

K216-1680

Molecular Formula

C29H26N4O3 (C29 H26 N4 O3)

Compound Name

2,3-bis(furan-2-yl)-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxaline

IUPAC name

23-bis(furan-2-yl)-6-[3-methyl-4-(3-methylphenyl)piperazine-1-carbonyl]quinoxaline

SMILES

CC(CN(CC1)C(c2cc3nc(-c4ccco4)c(-c4ccco4)nc3cc2)=O)N1c1cc(C)ccc1

InChI

InChI=1S/C29H26N4O3/c1-19-6-3-7-22(16-19)33-13-12-32(18-20(33)2)29(34)21-10-11-23-24(17-21)31-28(26-9-5-15-36-26)27(30-23)25-8-4-14-35-25/h3-11,14-17,20H,12-13,18H2,1-2H3/t20-/m0/s1

InChI Key

HKZGIMGXVCFYFH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD15081475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.897

Water Solubility, LogSw

-4.67

Polar Surface Area

54.453

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

2.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

K216-1680 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K216-1680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-1680?
Check Price and Availability of K216-1680, 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 K216-1680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-1680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-1680
  • 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 K216-1680 available by request