J063-0090 Screening compound: 5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one

J063-0090 Screening compound: 5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one
J063-0090 Screening compound: 5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J063-0090
5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-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

J063-0090

Molecular Formula

C15H23N3O (C15 H23 N3 O)

Compound Name

5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-1,2,4-triazolidin-3-one

IUPAC name

5-methyl-5-(3-methylbutyl)-2-(3-methylphenyl)-124-triazolidin-3-one

SMILES

CC(C)CCC(C)(NC1=O)NN1c1cc(C)ccc1

InChI

InChI=1S/C15H23N3O/c1-11(2)8-9-15(4)16-14(19)18(17-15)13-7-5-6-12(3)10-13/h5-7,10-11,17H,8-9H2,1-4H3,(H,16,19)/t15-/m0/s1

InChI Key

GVFLHZXABJAXMT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15079876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

261.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.074

Distribution Coefficient, logD

4.074

Water Solubility, LogSw

-4.10

Polar Surface Area

40.754

Acid Dissociation Constant (pKa)

16.23

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.30

References: we are preparing a list of scientific research reports with J063-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J063-0090?
Check Price and Availability of J063-0090, 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 J063-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J063-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J063-0090
  • 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 J063-0090 available by request