P071-0711 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-1,4-dioxo-5-propyl-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide

P071-0711 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-1,4-dioxo-5-propyl-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide
P071-0711 Screening compound: N-[(2,3-dimethoxyphenyl)methyl]-1,4-dioxo-5-propyl-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P071-0711
N-[(2,3-dimethoxyphenyl)methyl]-1,4-dioxo-5-propyl-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

P071-0711

Molecular Formula

C24H27N3O5 (C24 H27 N3 O5)

Compound Name

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

IUPAC name

N-[(23-dimethoxyphenyl)methyl]-14-dioxo-5-propyl-1H2H3H3aH4H5H-pyrrolo[12-a]quinoxaline-7-carboxamide

SMILES

CCCN(C(C1CC2)=O)c(cc(cc3)C(NCc(cccc4OC)c4OC)=O)c3N1C2=O

InChI

InChI=1S/C24H27N3O5/c1-4-12-26-19-13-15(8-9-17(19)27-18(24(26)30)10-11-21(27)28)23(29)25-14-16-6-5-7-20(31-2)22(16)32-3/h5-9,13,18H,4,10-12,14H2,1-3H3,(H,25,29)/t18-/m0/s1

InChI Key

CIPTWYQVFCNJLG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD27561897

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.995

Distribution Coefficient, logD

1.995

Water Solubility, LogSw

-2.65

Polar Surface Area

71.177

Acid Dissociation Constant (pKa)

10.43

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

P071-0711 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P071-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P071-0711?
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What is the minimum amount of P071-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P071-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P071-0711
  • 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 P071-0711 available by request