6408-0026 Screening compound: N-{[4-(benzyloxy)phenyl]methyl}-4-bromoaniline

6408-0026 Screening compound: N-{[4-(benzyloxy)phenyl]methyl}-4-bromoaniline
6408-0026 Screening compound: N-{[4-(benzyloxy)phenyl]methyl}-4-bromoaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6408-0026
N-{[4-(benzyloxy)phenyl]methyl}-4-bromoaniline

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

6408-0026

Molecular Formula

C20H18BrNO (C20 H18 BrNO)

Compound Name

N-{[4-(benzyloxy)phenyl]methyl}-4-bromoaniline

IUPAC name

N-{[4-(benzyloxy)phenyl]methyl}-4-bromoaniline

SMILES

Brc(cc1)ccc1NCc(cc1)ccc1OCc1ccccc1

InChI

InChI=1S/C20H18BrNO/c21-18-8-10-19(11-9-18)22-14-16-6-12-20(13-7-16)23-15-17-4-2-1-3-5-17/h1-13,22H,14-15H2

InChI Key

WKIVAQYYMTXMAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03546960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.547

Distribution Coefficient, logD

5.547

Water Solubility, LogSw

-5.99

Polar Surface Area

17.701

Acid Dissociation Constant (pKa)

19.17

Base Dissociation Constant (pKb)

1.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

6408-0026 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 6408-0026 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6408-0026?
Check Price and Availability of 6408-0026, 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 6408-0026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6408-0026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6408-0026
  • 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 6408-0026 available by request