8011-0556 Screening compound: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate

8011-0556 Screening compound: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate
8011-0556 Screening compound: ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0556
ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-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

8011-0556

Molecular Formula

C25H30BrN3O3 (C25 H30 BrN3 O3)

Compound Name

ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate

IUPAC name

ethyl 2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-methoxy-1-methyl-1H-indole-3-carboxylate

SMILES

CCOC(c(c1c2)c(CN3CCN(Cc4ccccc4)CC3)n(C)c1cc(Br)c2OC)=O

InChI

InChI=1S/C25H30BrN3O3/c1-4-32-25(30)24-19-14-23(31-3)20(26)15-21(19)27(2)22(24)17-29-12-10-28(11-13-29)16-18-8-6-5-7-9-18/h5-9,14-15H,4,10-13,16-17H2,1-3H3

InChI Key

ZJEKRYKLKKOHBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01606357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.010

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-4.18

Polar Surface Area

37.688

Acid Dissociation Constant (pKa)

28.48

Base Dissociation Constant (pKb)

8.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8011-0556 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8011-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0556?
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What is the minimum amount of 8011-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0556
  • 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 8011-0556 available by request