K786-4380 Screening compound: (3-ethoxypropyl)[(3-methylphenyl)methyl]amine

K786-4380 Screening compound: (3-ethoxypropyl)[(3-methylphenyl)methyl]amine
K786-4380 Screening compound: (3-ethoxypropyl)[(3-methylphenyl)methyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4380
(3-ethoxypropyl)[(3-methylphenyl)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

K786-4380

Molecular Formula

C13H21NO (C13 H21 NO)

Compound Name

(3-ethoxypropyl)[(3-methylphenyl)methyl]amine

IUPAC name

(3-ethoxypropyl)[(3-methylphenyl)methyl]amine

SMILES

CCOCCCNCc1cc(C)ccc1

InChI

InChI=1S/C13H21NO/c1-3-15-9-5-8-14-11-13-7-4-6-12(2)10-13/h4,6-7,10,14H,3,5,8-9,11H2,1-2H3

InChI Key

SMQDFVCKCBCHMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832030

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

207.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

2.382

Distribution Coefficient, logD

-0.015

Water Solubility, LogSw

-2.55

Polar Surface Area

20.095

Acid Dissociation Constant (pKa)

26.45

Base Dissociation Constant (pKb)

9.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

K786-4380 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with K786-4380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4380?
Check Price and Availability of K786-4380, 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 K786-4380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4380
  • 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 K786-4380 available by request