F842-0821 Screening compound: N-(2,4-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

F842-0821 Screening compound: N-(2,4-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide
F842-0821 Screening compound: N-(2,4-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F842-0821
N-(2,4-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

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

F842-0821

Molecular Formula

C27H25N5O5 (C27 H25 N5 O5)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[4-(2,3-dimethylphenoxy)-1-oxo-1H,2H-[1,2,4]triazolo[4,3-a]quinoxalin-2-yl]acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-[4-(23-dimethylphenoxy)-1-oxo-1H2H-[124]triazolo[43-a]quinoxalin-2-yl]acetamide

SMILES

Cc1cccc(OC(C2=NN3CC(Nc(ccc(OC)c4)c4OC)=O)=Nc(cccc4)c4N2C3=O)c1C

InChI

InChI=1S/C27H25N5O5/c1-16-8-7-11-22(17(16)2)37-26-25-30-31(27(34)32(25)21-10-6-5-9-19(21)29-26)15-24(33)28-20-13-12-18(35-3)14-23(20)36-4/h5-14H,15H2,1-4H3,(H,28,33)

InChI Key

LTALUXMAFJBOKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27199029

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.229

Distribution Coefficient, logD

4.229

Water Solubility, LogSw

-4.46

Polar Surface Area

84.477

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

F842-0821 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F842-0821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F842-0821?
Check Price and Availability of F842-0821, 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 F842-0821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F842-0821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F842-0821
  • 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 F842-0821 available by request