K784-9693 Screening compound: ethyl 4-{3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]benzoyl}piperazine-1-carboxylate

K784-9693 Screening compound: ethyl 4-{3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]benzoyl}piperazine-1-carboxylate
K784-9693 Screening compound: ethyl 4-{3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]benzoyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9693
ethyl 4-{3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]benzoyl}piperazine-1-carboxylate

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

K784-9693

Molecular Formula

C24H25BrN4O6 (C24 H25 BrN4 O6)

Compound Name

ethyl 4-{3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]benzoyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]benzoyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1cccc(NC(C(c(cc(cc2)Br)c2NC(C)=O)=O)=O)c1)=O)=O

InChI

InChI=1S/C24H25BrN4O6/c1-3-35-24(34)29-11-9-28(10-12-29)23(33)16-5-4-6-18(13-16)27-22(32)21(31)19-14-17(25)7-8-20(19)26-15(2)30/h4-8,13-14H,3,9-12H2,1-2H3,(H,26,30)(H,27,32)

InChI Key

UPGUIYACZXKMRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.39

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.435

Distribution Coefficient, logD

2.248

Water Solubility, LogSw

-3.07

Polar Surface Area

99.061

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K784-9693 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Covalent Inhibitors Library (7986 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
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K784-9693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9693?
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What is the minimum amount of K784-9693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9693
  • 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 K784-9693 available by request