K786-0036 Screening compound: 3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(4-methoxyphenyl)methyl]benzamide

K786-0036 Screening compound: 3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(4-methoxyphenyl)methyl]benzamide
K786-0036 Screening compound: 3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(4-methoxyphenyl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0036
3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(4-methoxyphenyl)methyl]benzamide

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

K786-0036

Molecular Formula

C25H22BrN3O5 (C25 H22 BrN3 O5)

Compound Name

3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(4-methoxyphenyl)methyl]benzamide

IUPAC name

3-[2-(5-bromo-2-acetamidophenyl)-2-oxoacetamido]-N-[(4-methoxyphenyl)methyl]benzamide

SMILES

CC(Nc(ccc(Br)c1)c1C(C(Nc1cc(C(NCc(cc2)ccc2OC)=O)ccc1)=O)=O)=O

InChI

InChI=1S/C25H22BrN3O5/c1-15(30)28-22-11-8-18(26)13-21(22)23(31)25(33)29-19-5-3-4-17(12-19)24(32)27-14-16-6-9-20(34-2)10-7-16/h3-13H,14H2,1-2H3,(H,27,32)(H,28,30)(H,29,33)

InChI Key

PUDDBUQQZPZKIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830819

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.362

Water Solubility, LogSw

-3.85

Polar Surface Area

91.589

Acid Dissociation Constant (pKa)

7.67

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

K786-0036 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 K786-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0036?
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What is the minimum amount of K786-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0036
  • 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 K786-0036 available by request