G212-0361 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxobutanamide

G212-0361 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxobutanamide
G212-0361 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0361
4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[(2H-1,3-benzodioxol-5-yl)methyl]-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

G212-0361

Molecular Formula

C23H25N3O4 (C23 H25 N3 O4)

Compound Name

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

IUPAC name

4-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-[(2H-13-benzodioxol-5-yl)methyl]-4-oxobutanamide

SMILES

O=C(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H25N3O4/c27-22(24-13-16-7-8-20-21(12-16)30-15-29-20)9-10-23(28)26-14-17-4-3-11-25(17)18-5-1-2-6-19(18)26/h1-2,5-8,12,17H,3-4,9-11,13-15H2,(H,24,27)/t17-/m1/s1

InChI Key

KFKWKVIZVSLOGS-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14986770

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-2.82

Polar Surface Area

59.537

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

G212-0361 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G212-0361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0361?
Check Price and Availability of G212-0361, 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 G212-0361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0361
  • 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 G212-0361 available by request