8008-6539 Screening compound: N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

8008-6539 Screening compound: N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
8008-6539 Screening compound: N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-6539
N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

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

8008-6539

Molecular Formula

C15H22BrN3O2 (C15 H22 BrN3 O2)

Compound Name

N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

IUPAC name

N-(3-bromophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

SMILES

OCCN1CCN(CCC(Nc2cccc(Br)c2)=O)CC1

InChI

InChI=1S/C15H22BrN3O2/c16-13-2-1-3-14(12-13)17-15(21)4-5-18-6-8-19(9-7-18)10-11-20/h1-3,12,20H,4-11H2,(H,17,21)

InChI Key

UDMXGQXFCFWIJK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.394

Distribution Coefficient, logD

1.198

Water Solubility, LogSw

-2.05

Polar Surface Area

47.545

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.30

8008-6539 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Diversity Natural-Product-Like Library (18102 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8008-6539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-6539?
Check Price and Availability of 8008-6539, 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 8008-6539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-6539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-6539
  • 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 8008-6539 available by request