J063-0233 Screening compound: 2-(4-bromophenyl)-5-ethyl-5-isopropyl-1,2,4-triazolan-3-one

J063-0233 Screening compound: 2-(4-bromophenyl)-5-ethyl-5-isopropyl-1,2,4-triazolan-3-one
J063-0233 Screening compound: 2-(4-bromophenyl)-5-ethyl-5-isopropyl-1,2,4-triazolan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J063-0233
2-(4-bromophenyl)-5-ethyl-5-isopropyl-1,2,4-triazolan-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

J063-0233

Molecular Formula

C13H18BrN3O (C13 H18 BrN3 O)

Compound Name

2-(4-bromophenyl)-5-ethyl-5-isopropyl-1,2,4-triazolan-3-one

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C13H18BrN3O/c1-4-13(9(2)3)15-12(18)17(16-13)11-7-5-10(14)6-8-11/h5-9,16H,4H2,1-3H3,(H,15,18)/t13-/m0/s1

InChI Key

KFEYSTNGIKLLMV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD15079885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.956

Water Solubility, LogSw

-3.91

Polar Surface Area

41.756

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.20

J063-0233 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with J063-0233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J063-0233?
Check Price and Availability of J063-0233, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of J063-0233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J063-0233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J063-0233
  • 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 J063-0233 available by request