E516-0728 Screening compound: N-[(3-fluorophenyl)methyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

E516-0728 Screening compound: N-[(3-fluorophenyl)methyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
E516-0728 Screening compound: N-[(3-fluorophenyl)methyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E516-0728
N-[(3-fluorophenyl)methyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-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

E516-0728

Molecular Formula

C19H18FN3O2 (C19 H18 FN3 O2)

Compound Name

N-[(3-fluorophenyl)methyl]-4-oxo-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

IUPAC name

N-[(3-fluorophenyl)methyl]-4-oxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carboxamide

SMILES

O=C(c(cc1)cc(N2)c1N(CCC1)C1C2=O)NCc1cccc(F)c1

InChI

InChI=1S/C19H18FN3O2/c20-14-4-1-3-12(9-14)11-21-18(24)13-6-7-16-15(10-13)22-19(25)17-5-2-8-23(16)17/h1,3-4,6-7,9-10,17H,2,5,8,11H2,(H,21,24)(H,22,25)/t17-/m1/s1

InChI Key

FMWARYCMSKAZDB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14894277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.432

Distribution Coefficient, logD

2.432

Water Solubility, LogSw

-2.85

Polar Surface Area

52.346

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

E516-0728 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Cardiovascular Library (22201 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E516-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E516-0728?
Check Price and Availability of E516-0728, 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 E516-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E516-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E516-0728
  • 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 E516-0728 available by request