K048-0061 Screening compound: 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one

K048-0061 Screening compound: 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one
K048-0061 Screening compound: 2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K048-0061
2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-6-methyl-3,4-dihydropyrimidin-4-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

K048-0061

Molecular Formula

C12H10Br2N4O2 (C12 H10 Br2 N4 O2)

Compound Name

2-[(2E)-2-[(3,5-dibromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-6-methyl-3,4-dihydropyrimidin-4-one

IUPAC name

2-[(2E)-2-[(35-dibromo-2-hydroxyphenyl)methylidene]hydrazin-1-yl]-6-methyl-34-dihydropyrimidin-4-one

SMILES

CC(N=C(N/N=C/c1cc(Br)cc(Br)c1O)N1)=CC1=O

InChI

InChI=1S/C12H10Br2N4O2/c1-6-2-10(19)17-12(16-6)18-15-5-7-3-8(13)4-9(14)11(7)20/h2-5,20H,1H3,(H2,16,17,18,19)

InChI Key

WFHSYWMTQSPTEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248544

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.05

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.055

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-3.14

Polar Surface Area

72.060

Acid Dissociation Constant (pKa)

7.01

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

K048-0061 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K048-0061 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K048-0061?
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What is the minimum amount of K048-0061 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K048-0061
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K048-0061
  • 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 K048-0061 available by request