K786-4779 Screening compound: [3-(diethylamino)propyl]({[4-(hexyloxy)phenyl]methyl})amine

K786-4779 Screening compound: [3-(diethylamino)propyl]({[4-(hexyloxy)phenyl]methyl})amine
K786-4779 Screening compound: [3-(diethylamino)propyl]({[4-(hexyloxy)phenyl]methyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4779
[3-(diethylamino)propyl]({[4-(hexyloxy)phenyl]methyl})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

K786-4779

Molecular Formula

C20H36N2O (C20 H36 N2 O)

Compound Name

[3-(diethylamino)propyl]({[4-(hexyloxy)phenyl]methyl})amine

IUPAC name

[3-(diethylamino)propyl]({[4-(hexyloxy)phenyl]methyl})amine

SMILES

CCCCCCOc1ccc(CNCCCN(CC)CC)cc1

InChI

InChI=1S/C20H36N2O/c1-4-7-8-9-17-23-20-13-11-19(12-14-20)18-21-15-10-16-22(5-2)6-3/h11-14,21H,4-10,15-18H2,1-3H3

InChI Key

ZQUWVICWDZWOJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832194

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

320.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

2.290

Water Solubility, LogSw

-3.94

Polar Surface Area

22.946

Acid Dissociation Constant (pKa)

26.88

Base Dissociation Constant (pKb)

9.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

K786-4779 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K786-4779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4779?
Check Price and Availability of K786-4779, 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 K786-4779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4779
  • 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 K786-4779 available by request