K786-3449 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(1-methyl-1H-indol-3-yl)butanamide

K786-3449 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(1-methyl-1H-indol-3-yl)butanamide
K786-3449 Screening compound: N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(1-methyl-1H-indol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3449
N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(1-methyl-1H-indol-3-yl)butanamide

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

K786-3449

Molecular Formula

C23H28N2O3 (C23 H28 N2 O3)

Compound Name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(1-methyl-1H-indol-3-yl)butanamide

IUPAC name

N-[(4-ethoxy-3-methoxyphenyl)methyl]-4-(1-methyl-1H-indol-3-yl)butanamide

SMILES

CCOc(ccc(CNC(CCCc1cn(C)c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C23H28N2O3/c1-4-28-21-13-12-17(14-22(21)27-3)15-24-23(26)11-7-8-18-16-25(2)20-10-6-5-9-19(18)20/h5-6,9-10,12-14,16H,4,7-8,11,15H2,1-3H3,(H,24,26)

InChI Key

IZGBQJUWMUUPHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.326

Distribution Coefficient, logD

3.326

Water Solubility, LogSw

-3.42

Polar Surface Area

41.839

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K786-3449 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

Dark Chemical Matter Library (18430 compounds)

Human GPCR Annotated Library (5539 compounds)

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-3449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3449?
Check Price and Availability of K786-3449, 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 K786-3449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3449
  • 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 K786-3449 available by request