5556-0076 Screening compound: 2-bromo-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide

5556-0076 Screening compound: 2-bromo-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide
5556-0076 Screening compound: 2-bromo-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5556-0076
2-bromo-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide

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

5556-0076

Molecular Formula

C20H17BrN2O (C20 H17 BrN2 O)

Compound Name

2-bromo-N-(1,2,3,4-tetrahydroacridin-9-yl)benzamide

IUPAC name

2-bromo-N-(1234-tetrahydroacridin-9-yl)benzamide

SMILES

O=C(c(cccc1)c1Br)Nc1c(CCCC2)c2nc2ccccc12

InChI

InChI=1S/C20H17BrN2O/c21-16-10-4-1-7-13(16)20(24)23-19-14-8-2-5-11-17(14)22-18-12-6-3-9-15(18)19/h1-2,4-5,7-8,10-11H,3,6,9,12H2,(H,22,23,24)

InChI Key

HDYXCFDHPFWFAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01242459

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.283

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.42

Polar Surface Area

31.686

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

6.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5556-0076 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5556-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5556-0076?
Check Price and Availability of 5556-0076, 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 5556-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5556-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5556-0076
  • 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 5556-0076 available by request