G212-0484 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[2-(thiophen-2-yl)ethyl]butanamide

G212-0484 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[2-(thiophen-2-yl)ethyl]butanamide
G212-0484 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[2-(thiophen-2-yl)ethyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0484
4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-oxo-N-[2-(thiophen-2-yl)ethyl]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

G212-0484

Molecular Formula

C21H25N3O2S (C21 H25 N3 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)NCCc1cccs1

InChI

InChI=1S/C21H25N3O2S/c25-20(22-12-11-17-6-4-14-27-17)9-10-21(26)24-15-16-5-3-13-23(16)18-7-1-2-8-19(18)24/h1-2,4,6-8,14,16H,3,5,9-13,15H2,(H,22,25)/t16-/m1/s1

InChI Key

WCZLMGVMNHJDCJ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14986798

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.254

Distribution Coefficient, logD

2.254

Water Solubility, LogSw

-2.59

Polar Surface Area

43.282

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

G212-0484 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G212-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0484?
Check Price and Availability of G212-0484, 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 G212-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0484
  • 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 G212-0484 available by request