P071-0616 Screening compound: 5-ethyl-N~7~-(2-furylmethyl)-1,4-dioxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxamide

P071-0616 Screening compound: 5-ethyl-N~7~-(2-furylmethyl)-1,4-dioxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxamide
P071-0616 Screening compound: 5-ethyl-N~7~-(2-furylmethyl)-1,4-dioxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P071-0616
5-ethyl-N~7~-(2-furylmethyl)-1,4-dioxo-1,2,3,3a,4,5-hexahydropyrrolo[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

P071-0616

Molecular Formula

C19H19N3O4 (C19 H19 N3 O4)

Compound Name

5-ethyl-N~7~-(2-furylmethyl)-1,4-dioxo-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoxaline-7-carboxamide

IUPAC name

5-ethyl-N-[(furan-2-yl)methyl]-14-dioxo-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carboxamide

SMILES

CCN(C(C1CC2)=O)c(cc(cc3)C(NCc4ccco4)=O)c3N1C2=O

InChI

InChI=1S/C19H19N3O4/c1-2-21-16-10-12(18(24)20-11-13-4-3-9-26-13)5-6-14(16)22-15(19(21)25)7-8-17(22)23/h3-6,9-10,15H,2,7-8,11H2,1H3,(H,20,24)/t15-/m0/s1

InChI Key

BVNLPKNIARUCOW-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27561884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.171

Distribution Coefficient, logD

1.170

Water Solubility, LogSw

-2.14

Polar Surface Area

63.324

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-4.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

P071-0616 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P071-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P071-0616?
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What is the minimum amount of P071-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P071-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P071-0616
  • 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 P071-0616 available by request