K216-8228 Screening compound: 2,3-diethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}quinoxaline-6-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K216-8228
2,3-diethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}quinoxaline-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K216-8228

Molecular Formula

C₂₂H₂₅N₃OS (C22 H25 N3 OS)

Compound Name

2,3-diethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}quinoxaline-6-carboxamide

IUPAC name

23-diethyl-N-{2-[4-(methylsulfanyl)phenyl]ethyl}quinoxaline-6-carboxamide

SMILES

CCc1c(CC)nc(cc(cc2)C(NCCc(cc3)ccc3SC)=O)c2n1

InChI

InChI=1S/C22H25N3OS/c1-4-18-19(5-2)25-21-14-16(8-11-20(21)24-18)22(26)23-13-12-15-6-9-17(27-3)10-7-15/h6-11,14H,4-5,12-13H2,1-3H3,(H,23,26)

InChI Key

XMIBXHXXZQMUFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15081641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.538

Distribution Coefficient, logD

4.538

Water Solubility, LogSw

-4.30

Polar Surface Area

43.958

Acid Dissociation Constant (pK_a)

12.96

Base Dissociation Constant (pK_b)

3.13

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

31.80

K216-8228 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:

References: we are preparing a list of scientific research reports with K216-8228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-8228?
Check Price and Availability of K216-8228, 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 K216-8228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K216-8228
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K216-8228

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 K216-8228 available by request