G212-0296 Screening compound: 1-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}butane-1,4-dione

G212-0296 Screening compound: 1-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}butane-1,4-dione
G212-0296 Screening compound: 1-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}butane-1,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound G212-0296
1-{1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxalin-5-yl}-4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}butane-1,4-dione

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

G212-0296

Molecular Formula

C27H32N4O4 (C27 H32 N4 O4)

Compound Name

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

IUPAC name

1-{1H2H3H3aH4H5H-pyrrolo[12-a]quinoxalin-5-yl}-4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}butane-14-dione

SMILES

O=C(CCC(N1c(cccc2)c2N(CCC2)C2C1)=O)N1CCN(Cc(cc2)cc3c2OCO3)CC1

InChI

InChI=1S/C27H32N4O4/c32-26(29-14-12-28(13-15-29)17-20-7-8-24-25(16-20)35-19-34-24)9-10-27(33)31-18-21-4-3-11-30(21)22-5-1-2-6-23(22)31/h1-2,5-8,16,21H,3-4,9-15,17-19H2/t21-/m1/s1

InChI Key

XTIDFTFGQULOBZ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14986757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.301

Distribution Coefficient, logD

1.957

Water Solubility, LogSw

-2.71

Polar Surface Area

54.999

Acid Dissociation Constant (pKa)

21.41

Base Dissociation Constant (pKb)

7.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

G212-0296 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G212-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G212-0296?
Check Price and Availability of G212-0296, 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 G212-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G212-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G212-0296
  • 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 G212-0296 available by request