G212-0422 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide

G212-0422 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide
G212-0422 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0422
4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide

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

G212-0422

Molecular Formula

C21H30N4O3 (C21 H30 N4 O3)

Compound Name

4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide

IUPAC name

4-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-[2-(morpholin-4-yl)ethyl]-4-oxobutanamide

SMILES

O=C(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)NCCN1CCOCC1

InChI

InChI=1S/C21H30N4O3/c26-20(22-9-11-23-12-14-28-15-13-23)7-8-21(27)25-16-17-4-3-10-24(17)18-5-1-2-6-19(18)25/h1-2,5-6,17H,3-4,7-16H2,(H,22,26)/t17-/m1/s1

InChI Key

MHJGTNQWVIVOSB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14986784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.434

Distribution Coefficient, logD

0.358

Water Solubility, LogSw

-1.84

Polar Surface Area

54.154

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

6.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

G212-0422 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G212-0422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0422?
Check Price and Availability of G212-0422, 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 G212-0422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0422
  • 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 G212-0422 available by request