F218-7427 Screening compound: butyl 3-[(3,4-difluorophenyl)amino]quinoxaline-2-carboxylate

F218-7427 Screening compound: butyl 3-[(3,4-difluorophenyl)amino]quinoxaline-2-carboxylate
F218-7427 Screening compound: butyl 3-[(3,4-difluorophenyl)amino]quinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F218-7427
butyl 3-[(3,4-difluorophenyl)amino]quinoxaline-2-carboxylate

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

F218-7427

Molecular Formula

C19H17F2N3O2 (C19 H17 F2 N3 O2)

Compound Name

butyl 3-[(3,4-difluorophenyl)amino]quinoxaline-2-carboxylate

IUPAC name

butyl 3-[(34-difluorophenyl)amino]quinoxaline-2-carboxylate

SMILES

CCCCOC(c1nc2ccccc2nc1Nc(cc1)cc(F)c1F)=O

InChI

InChI=1S/C19H17F2N3O2/c1-2-3-10-26-19(25)17-18(22-12-8-9-13(20)14(21)11-12)24-16-7-5-4-6-15(16)23-17/h4-9,11H,2-3,10H2,1H3,(H,22,24)

InChI Key

YKCMDZXBZRDPGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27108891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.228

Distribution Coefficient, logD

5.228

Water Solubility, LogSw

-4.97

Polar Surface Area

48.542

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

F218-7427 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Arginase Targeted Library (2009 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with F218-7427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F218-7427?
Check Price and Availability of F218-7427, 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 F218-7427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F218-7427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F218-7427
  • 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 F218-7427 available by request