G212-0439 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxobutanamide

G212-0439 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxobutanamide
G212-0439 Screening compound: 4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(3,4-diethoxyphenyl)ethyl]-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0439
4-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-N-[2-(3,4-diethoxyphenyl)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

G212-0439

Molecular Formula

C27H35N3O4 (C27 H35 N3 O4)

Compound Name

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

IUPAC name

4-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-N-[2-(34-diethoxyphenyl)ethyl]-4-oxobutanamide

SMILES

CCOc(ccc(CCNC(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)=O)c1)c1OCC

InChI

InChI=1S/C27H35N3O4/c1-3-33-24-12-11-20(18-25(24)34-4-2)15-16-28-26(31)13-14-27(32)30-19-21-8-7-17-29(21)22-9-5-6-10-23(22)30/h5-6,9-12,18,21H,3-4,7-8,13-17,19H2,1-2H3,(H,28,31)/t21-/m1/s1

InChI Key

VMYPZGNVGQPNIC-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14986788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.304

Distribution Coefficient, logD

2.304

Water Solubility, LogSw

-2.78

Polar Surface Area

56.684

Acid Dissociation Constant (pKa)

14.31

Base Dissociation Constant (pKb)

-0.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with G212-0439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0439?
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What is the minimum amount of G212-0439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0439
  • 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 G212-0439 available by request