K808-8076 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

K808-8076 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide
K808-8076 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-8076
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

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

K808-8076

Molecular Formula

C21H25NO4 (C21 H25 NO4)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-5-oxo-5-phenylpentanamide

SMILES

COc(ccc(CCNC(CCCC(c1ccccc1)=O)=O)c1)c1OC

InChI

InChI=1S/C21H25NO4/c1-25-19-12-11-16(15-20(19)26-2)13-14-22-21(24)10-6-9-18(23)17-7-4-3-5-8-17/h3-5,7-8,11-12,15H,6,9-10,13-14H2,1-2H3,(H,22,24)

InChI Key

GZBFMEYERILXKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.812

Distribution Coefficient, logD

1.812

Water Solubility, LogSw

-2.27

Polar Surface Area

52.788

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

K808-8076 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with K808-8076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-8076?
Check Price and Availability of K808-8076, 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 K808-8076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-8076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-8076
  • 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 K808-8076 available by request