G212-0443 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(piperidin-1-yl)propyl]butanamide

G212-0443 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(piperidin-1-yl)propyl]butanamide
G212-0443 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(piperidin-1-yl)propyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0443
4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(piperidin-1-yl)propyl]butanamide

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

G212-0443

Molecular Formula

C23H34N4O2 (C23 H34 N4 O2)

Compound Name

4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[3-(piperidin-1-yl)propyl]butanamide

IUPAC name

4-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-4-oxo-N-[3-(piperidin-1-yl)propyl]butanamide

SMILES

O=C(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)NCCCN1CCCCC1

InChI

InChI=1S/C23H34N4O2/c28-22(24-13-7-16-25-14-4-1-5-15-25)11-12-23(29)27-18-19-8-6-17-26(19)20-9-2-3-10-21(20)27/h2-3,9-10,19H,1,4-8,11-18H2,(H,24,28)/t19-/m1/s1

InChI Key

NIFUQYWJDUVYRF-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14986789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.664

Distribution Coefficient, logD

-0.990

Water Solubility, LogSw

-2.02

Polar Surface Area

46.246

Acid Dissociation Constant (pKa)

15.45

Base Dissociation Constant (pKb)

10.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.20

G212-0443 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
Targets:
  • GPCR
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with G212-0443 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0443?
Check Price and Availability of G212-0443, 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 G212-0443 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0443
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0443
  • 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 G212-0443 available by request