5689-0002 Screening compound: benzyl(1-phenylbut-3-en-1-yl)amine

5689-0002 Screening compound: benzyl(1-phenylbut-3-en-1-yl)amine
5689-0002 Screening compound: benzyl(1-phenylbut-3-en-1-yl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 5689-0002
benzyl(1-phenylbut-3-en-1-yl)amine

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

5689-0002

Molecular Formula

C17H19N (C17 H19 N)

Compound Name

benzyl(1-phenylbut-3-en-1-yl)amine

IUPAC name

benzyl(1-phenylbut-3-en-1-yl)amine

SMILES

C=CCC(c1ccccc1)NCc1ccccc1

InChI

InChI=1S/C17H19N/c1-2-9-17(16-12-7-4-8-13-16)18-14-15-10-5-3-6-11-15/h2-8,10-13,17-18H,1,9,14H2/t17-/m0/s1

InChI Key

LRPZBHSJWXDRER-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00757007

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

237.34

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

3.629

Distribution Coefficient, logD

3.146

Water Solubility, LogSw

-3.77

Polar Surface Area

11.425

Acid Dissociation Constant (pKa)

24.74

Base Dissociation Constant (pKb)

7.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

5689-0002 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic
Structure:
  • Pool
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5689-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5689-0002?
Check Price and Availability of 5689-0002, 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 5689-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5689-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5689-0002
  • 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 5689-0002 available by request