3228-0006 Screening compound: 2,3,10,11-tetramethoxy-5,6,8,8a,13,14,16,16a-octahydroisoquino[2',1':4,5]pyrazino[2,1-a]isoquinoline

3228-0006 Screening compound: 2,3,10,11-tetramethoxy-5,6,8,8a,13,14,16,16a-octahydroisoquino[2',1':4,5]pyrazino[2,1-a]isoquinoline
3228-0006 Screening compound: 2,3,10,11-tetramethoxy-5,6,8,8a,13,14,16,16a-octahydroisoquino[2',1':4,5]pyrazino[2,1-a]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 3228-0006
2,3,10,11-tetramethoxy-5,6,8,8a,13,14,16,16a-octahydroisoquino[2',1':4,5]pyrazino[2,1-a]isoquinoline

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

3228-0006

Molecular Formula

C24H30N2O4 (C24 H30 N2 O4)

Compound Name

2,3,10,11-tetramethoxy-5,6,8,8a,13,14,16,16a-octahydroisoquino[2',1':4,5]pyrazino[2,1-a]isoquinoline

IUPAC name

671718-tetramethoxy-112-diazapentacyclo[12.8.0.0^{312}.0^{49}.0^{1520}]docosa-4(9)5715(20)1618-hexaene

SMILES

COc1cc(CCN(C2)C3CN(CCc4c5)C2c4cc(OC)c5OC)c3cc1OC

InChI

InChI=1S/C24H30N2O4/c1-27-21-9-15-5-7-25-14-20-18-12-24(30-4)22(28-2)10-16(18)6-8-26(20)13-19(25)17(15)11-23(21)29-3/h9-12,19-20H,5-8,13-14H2,1-4H3

InChI Key

GMQSAPMDFWUBGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00984609

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.873

Distribution Coefficient, logD

1.772

Water Solubility, LogSw

-2.08

Polar Surface Area

36.593

Acid Dissociation Constant (pKa)

25.74

Base Dissociation Constant (pKb)

6.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

3228-0006 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

CNS Targets (44014 compounds)

Akt-Targeted Library (14764 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3228-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3228-0006?
Check Price and Availability of 3228-0006, 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 3228-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3228-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3228-0006
  • 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 3228-0006 available by request