G212-0317 Screening compound: 4-[2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-4-oxo-N-(2-pyridylmethyl)butanamide

G212-0317 Screening compound: 4-[2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-4-oxo-N-(2-pyridylmethyl)butanamide
G212-0317 Screening compound: 4-[2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-4-oxo-N-(2-pyridylmethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0317
4-[2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-4-oxo-N-(2-pyridylmethyl)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

G212-0317

Molecular Formula

C21H24N4O2 (C21 H24 N4 O2)

Compound Name

4-[2,3,3a,4-tetrahydropyrrolo[1,2-a]quinoxalin-5(1H)-yl]-4-oxo-N-(2-pyridylmethyl)butanamide

IUPAC name

4-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-4-oxo-N-[(pyridin-2-yl)methyl]butanamide

SMILES

O=C(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)NCc1ncccc1

InChI

InChI=1S/C21H24N4O2/c26-20(23-14-16-6-3-4-12-22-16)10-11-21(27)25-15-17-7-5-13-24(17)18-8-1-2-9-19(18)25/h1-4,6,8-9,12,17H,5,7,10-11,13-15H2,(H,23,26)/t17-/m1/s1

InChI Key

YPZVEPAOOROFBO-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14986760

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.611

Distribution Coefficient, logD

1.610

Water Solubility, LogSw

-1.89

Polar Surface Area

51.965

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G212-0317 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G212-0317 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0317?
Check Price and Availability of G212-0317, 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 G212-0317 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0317
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0317
  • 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 G212-0317 available by request