3448-6871 Screening compound: N-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethyl)-N'-phenylethanediamide

3448-6871 Screening compound: N-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethyl)-N'-phenylethanediamide
3448-6871 Screening compound: N-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethyl)-N'-phenylethanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3448-6871
N-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethyl)-N'-phenylethanediamide

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

3448-6871

Molecular Formula

C21H25BrN4O2 (C21 H25 BrN4 O2)

Compound Name

N-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethyl)-N'-phenylethanediamide

IUPAC name

N-(2-{4-[(4-bromophenyl)methyl]piperazin-1-yl}ethyl)-N'-phenylethanediamide

SMILES

O=C(C(Nc1ccccc1)=O)NCCN1CCN(Cc(cc2)ccc2Br)CC1

InChI

InChI=1S/C21H25BrN4O2/c22-18-8-6-17(7-9-18)16-26-14-12-25(13-15-26)11-10-23-20(27)21(28)24-19-4-2-1-3-5-19/h1-9H,10-16H2,(H,23,27)(H,24,28)

InChI Key

JGUXRHQGSXFHPQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02153068

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.311

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-2.82

Polar Surface Area

55.379

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3448-6871 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3448-6871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3448-6871?
Check Price and Availability of 3448-6871, 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 3448-6871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3448-6871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3448-6871
  • 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 3448-6871 available by request