J063-0222 Screening compound: 2-(4-bromophenyl)-5-ethyl-5-methyl-1,2,4-triazolidin-3-one

J063-0222 Screening compound: 2-(4-bromophenyl)-5-ethyl-5-methyl-1,2,4-triazolidin-3-one
J063-0222 Screening compound: 2-(4-bromophenyl)-5-ethyl-5-methyl-1,2,4-triazolidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J063-0222
2-(4-bromophenyl)-5-ethyl-5-methyl-1,2,4-triazolidin-3-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

J063-0222

Molecular Formula

C11H14BrN3O (C11 H14 BrN3 O)

Compound Name

2-(4-bromophenyl)-5-ethyl-5-methyl-1,2,4-triazolidin-3-one

IUPAC name

2-(4-bromophenyl)-5-ethyl-5-methyl-124-triazolidin-3-one

SMILES

CCC(C)(NC1=O)NN1c(cc1)ccc1Br

InChI

InChI=1S/C11H14BrN3O/c1-3-11(2)13-10(16)15(14-11)9-6-4-8(12)5-7-9/h4-7,14H,3H2,1-2H3,(H,13,16)/t11-/m0/s1

InChI Key

SJIIVYAOQSBZCU-NSHDSACASA-N

MDL Number (MFCD)

MFCD27223213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.16

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.116

Water Solubility, LogSw

-3.10

Polar Surface Area

40.754

Acid Dissociation Constant (pKa)

16.17

Base Dissociation Constant (pKb)

0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

J063-0222 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

KRAS-Targeted Library (16000 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with J063-0222 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J063-0222?
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What is the minimum amount of J063-0222 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J063-0222
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J063-0222
  • 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 J063-0222 available by request