K808-3105 Screening compound: N-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

K808-3105 Screening compound: N-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide
K808-3105 Screening compound: N-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-3105
N-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

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

K808-3105

Molecular Formula

C19H22ClNO4 (C19 H22 ClNO4)

Compound Name

N-[(4-chlorophenyl)methyl]-3-(3,4,5-trimethoxyphenyl)propanamide

IUPAC name

N-[(4-chlorophenyl)methyl]-3-(345-trimethoxyphenyl)propanamide

SMILES

COc1cc(CCC(NCc(cc2)ccc2Cl)=O)cc(OC)c1OC

InChI

InChI=1S/C19H22ClNO4/c1-23-16-10-14(11-17(24-2)19(16)25-3)6-9-18(22)21-12-13-4-7-15(20)8-5-13/h4-5,7-8,10-11H,6,9,12H2,1-3H3,(H,21,22)

InChI Key

YIONIAPUNIICND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04677688

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.62

Polar Surface Area

47.416

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

-2.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

K808-3105 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic
Structure:
  • Pool

References: we are preparing a list of scientific research reports with K808-3105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-3105?
Check Price and Availability of K808-3105, 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 K808-3105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-3105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-3105
  • 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 K808-3105 available by request