K784-9554 Screening compound: N-benzyl-3-[2-(2-acetamidophenyl)-2-oxoacetamido]-N-methylbenzamide

K784-9554 Screening compound: N-benzyl-3-[2-(2-acetamidophenyl)-2-oxoacetamido]-N-methylbenzamide
K784-9554 Screening compound: N-benzyl-3-[2-(2-acetamidophenyl)-2-oxoacetamido]-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9554
N-benzyl-3-[2-(2-acetamidophenyl)-2-oxoacetamido]-N-methylbenzamide

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

K784-9554

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

N-benzyl-3-[2-(2-acetamidophenyl)-2-oxoacetamido]-N-methylbenzamide

IUPAC name

N-benzyl-3-[2-(2-acetamidophenyl)-2-oxoacetamido]-N-methylbenzamide

SMILES

CC(Nc(cccc1)c1C(C(Nc1cccc(C(N(C)Cc2ccccc2)=O)c1)=O)=O)=O

InChI

InChI=1S/C25H23N3O4/c1-17(29)26-22-14-7-6-13-21(22)23(30)24(31)27-20-12-8-11-19(15-20)25(32)28(2)16-18-9-4-3-5-10-18/h3-15H,16H2,1-2H3,(H,26,29)(H,27,31)

InChI Key

ZLMOSZOCAOSWTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.770

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.68

Polar Surface Area

75.783

Acid Dissociation Constant (pKa)

9.47

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K784-9554 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-9554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9554?
Check Price and Availability of K784-9554, 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 K784-9554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9554
  • 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 K784-9554 available by request