8006-4085 Screening compound: ethyl 2-benzyl-7-bromo-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indole-10-carboxylate

8006-4085 Screening compound: ethyl 2-benzyl-7-bromo-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indole-10-carboxylate
8006-4085 Screening compound: ethyl 2-benzyl-7-bromo-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indole-10-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-4085
ethyl 2-benzyl-7-bromo-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indole-10-carboxylate

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

8006-4085

Molecular Formula

C22H23BrN2O3 (C22 H23 BrN2 O3)

Compound Name

ethyl 2-benzyl-7-bromo-8-methoxy-1H,2H,3H,4H-pyrazino[1,2-a]indole-10-carboxylate

IUPAC name

ethyl 2-benzyl-7-bromo-8-methoxy-1H2H3H4H-pyrazino[12-a]indole-10-carboxylate

SMILES

CCOC(c(c1c2)c(CN(Cc3ccccc3)CC3)n3c1cc(Br)c2OC)=O

InChI

InChI=1S/C22H23BrN2O3/c1-3-28-22(26)21-16-11-20(27-2)17(23)12-18(16)25-10-9-24(14-19(21)25)13-15-7-5-4-6-8-15/h4-8,11-12H,3,9-10,13-14H2,1-2H3

InChI Key

XFOPEBUINNITTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00357767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

3.908

Water Solubility, LogSw

-4.32

Polar Surface Area

32.869

Acid Dissociation Constant (pKa)

26.38

Base Dissociation Constant (pKb)

7.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

8006-4085 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8006-4085 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-4085?
Check Price and Availability of 8006-4085, 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 8006-4085 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-4085
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-4085
  • 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 8006-4085 available by request