K078-0054 Screening compound: (3Z)-5-bromo-3-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazin-1-ylidene]-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

K078-0054 Screening compound: (3Z)-5-bromo-3-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazin-1-ylidene]-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one
K078-0054 Screening compound: (3Z)-5-bromo-3-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazin-1-ylidene]-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K078-0054
(3Z)-5-bromo-3-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazin-1-ylidene]-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

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

K078-0054

Molecular Formula

C21H18BrN5O2 (C21 H18 BrN5 O2)

Compound Name

(3Z)-5-bromo-3-[2-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)hydrazin-1-ylidene]-1-[(4-methylphenyl)methyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

(3Z)-5-bromo-3-[2-(4-methyl-6-oxo-16-dihydropyrimidin-2-yl)hydrazin-1-ylidene]-1-[(4-methylphenyl)methyl]-23-dihydro-1H-indol-2-one

SMILES

Cc1ccc(CN(c(ccc(Br)c2)c2/C2=N/NC(N3)=NC(C)=CC3=O)C2=O)cc1

InChI

InChI=1S/C21H18BrN5O2/c1-12-3-5-14(6-4-12)11-27-17-8-7-15(22)10-16(17)19(20(27)29)25-26-21-23-13(2)9-18(28)24-21/h3-10H,11H2,1-2H3,(H2,23,24,26,28)

InChI Key

VXKRREJADIGJRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01538923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.076

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.21

Polar Surface Area

70.616

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

K078-0054 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K078-0054 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K078-0054?
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What is the minimum amount of K078-0054 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K078-0054
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K078-0054
  • 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 K078-0054 available by request